SCHEMBL196151

SCHEMBL196151

Cc1ncc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.48
KDM4E B2RXH2 2/20 0.46
GPR3 P46089 1/20 0.46
EGFR P00533 1/20 0.46
CYP2A6 P11509 1/20 0.46
HTR3A P46098 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
GLA P06280 1/20 0.44
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
STAT3 P40763 1/20 0.42
NCF1 P14598 3/20 0.40
PDE10A Q9Y233 1/20 0.39
NQO2 P16083 1/20 0.39
NOS2 P35228 1/20 0.38
BACE1 P56817 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL27373628 0.98 CYP1A2 (0.47) CYP1A2KDM4EGPR3EGFRCYP2A6
SCHEMBL23349338 0.98 CYP1A2 (0.47) CYP1A2KDM4EGPR3EGFRCYP2A6
Formaldehyde SCHEMBL28015338 0.94 CYP1A2 (0.44) CYP1A2KDM4EGPR3EGFRCYP2A6
Piperazine SCHEMBL27739524 0.88 HTR3A (0.42) CYP1A2KDM4EGPR3EGFRCYP2A6
SCHEMBL12033738 0.80 CYP1A2 (0.52) CYP1A2KDM4EGPR3CYP2A6ALDH1A1
SCHEMBL30059022 0.77 CYP1A2 (0.45) CYP1A2KDM4EGPR3ALDH1A1HPGD
SCHEMBL30527184 0.75 CYP1A2 (0.60) CYP1A2KDM4EGPR3EGFRCYP2A6
SCHEMBL30198446 0.75 CYP1A2 (0.60) CYP1A2KDM4EGPR3EGFRCYP2A6
SCHEMBL1672650 0.75 CYP1A2 (0.60) CYP1A2KDM4EGPR3EGFRCYP2A6
SCHEMBL6615577 0.74 KDM4E (0.46) CYP1A2KDM4EGPR3EGFRCYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1570 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540131-B2 N-(heteroaryl) quinazolin-2-amine derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2026-02-03 US claimed
US-20250216369-A1 Gas Detection, Identification, and Quantification Systems and Devices for Medical Applications BECTON, DICKINSON AND COMPANY 2025-07-03 US claimed
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2025-02-13 US claimed
WO-2023183351-A1 GAS DETECTION, IDENTIFICATION, AND QUANTIFICATION SYSTEMS AND DEVICES FOR MEDICAL APPLICATIONS BECTON, DICKINSON AND COMPANY (US) 2023-09-28 WO claimed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US claimed
EP-4151218-A1 LINAGLIPTIN, A XANTHINE DERIVATIVE AS DPP-4 INHIBITOR, FOR USE IN THE TREATMENT OF SIRS AND/OR SEPSIS Boehringer Ingelheim International GmbH (DE) 2023-03-22 EP claimed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US claimed
US-20230023066-A1 N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2023-01-26 US claimed
US-20220184088-A1 USES OF DPP IV INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-06-16 US claimed
EP-3939577-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2022-01-19 EP claimed
WO-2009022007-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO claimed
WO-2009022010-A1 PHARMACEUTICAL COMPOSITION COMPRISING A SGLT2 INHIBITOR IN COMBINATION WITH A DPP-IV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO claimed
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 US claimed
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-09 US claimed
WO-2008017670-A1 PYRROLO [3, 2 -D] PYRIMIDINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO claimed
US-20070281940-A1 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-06 US claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US claimed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US claimed
US-4213784-A Process for producing heat developable light-sensitive compositions and elements FUJI PHOTO FILM CO., LTD. (JP) 1980-07-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12540131-B2 N-(heteroaryl) quinazolin-2-amine derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, SNCA CYP1A2 3573/4885KDM4E 3633/4885GPR3 331/4885
US-20220184088-A1 USES OF DPP IV INHIBITORS DPP4, DPP3, DPP7 CYP1A2 1187/4885KDM4E 2319/4885GPR3 2485/4885
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS HDAC6, HDAC9, HDAC1 CYP1A2 3088/4885KDM4E 2750/4885GPR3 2055/4885
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 CYP1A2 364/4885KDM4E 779/4885GPR3 522/4885
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 CYP1A2 247/4885KDM4E 2081/4885GPR3 1379/4885
US-20070281940-A1 USES OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 CYP1A2 1360/4885KDM4E 2161/4885GPR3 2445/4885
US-20230023066-A1 N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, PARK7 CYP1A2 3178/4885KDM4E 2295/4885GPR3 833/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 CYP1A2 247/4885KDM4E 2081/4885GPR3 1379/4885
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 CYP1A2 364/4885KDM4E 779/4885GPR3 522/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 CYP1A2 313/4885KDM4E 1974/4885GPR3 752/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.