Sugi Predict

Sugi Predict / Compounds / SCHEMBL196150

SCHEMBL196150

SCHEMBL196150

[CH2]c1ncc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ GPR3 P46089 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CYP1A2 P05177 6/20 0.43
▸ HTR3A P46098 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ NCF1 P14598 2/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ PDPK1 O15530 1/20 0.37

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
SCHEMBL30527184 0.75 CYP1A2 (0.60) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL30198446 0.75 CYP1A2 (0.60) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL1672650 0.75 CYP1A2 (0.60) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL17871059 0.71 KDM4E (0.46) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL277638 0.71 KDM4E (0.46) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL3073296 0.71 KDM4E (0.46) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL329760 0.71 KDM4E (0.46) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL1748568 0.71 KDM4E (0.46) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL41506 0.71 LCK (0.50) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL196151 0.71 CYP1A2 (0.48) KDM4EGPR3EGFRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4104838-A1 Use of DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2022-12-21 — — EP 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
CN-113683616-A KRAS G12C mutein inhibitors 广州百霆医药科技有限公司 2021-11-23 — — CN claimed
CN-112656945-A Treatment of diabetes in patients unsuited for metformin therapy 勃林格殷格翰国际有限公司 2021-04-16 — — CN claimed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 — — US claimed
US-20210093633-A1 TREATMENT FOR DIABETES IN PATIENTS INAPPROPRIATE FOR METFORMIN THERAPY BOEHRINGER INGELHEIM INT (DE) 2021-04-01 — — US claimed
WO-2004018468-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 — — WO claimed
EP-1368349-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 — — EP claimed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 — — WO claimed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 — — WO claimed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 — — WO claimed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 — — US claimed
EP-0201221-B1 6-(1-ACYL-1-HYDROXY METHYL) PENICILLANIC ACID DERIVATIVES PFIZER INC. (US) 1990-08-01 — — EP claimed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 — — US claimed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 — — US claimed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 — — EP 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 (5 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-20220184088-A1 USES OF DPP IV INHIBITORS DPP4, DPP3, DPP7 KDM4E 2319/4885GPR3 2485/4885EGFR 4435/4885
US-20210093633-A1 TREATMENT FOR DIABETES IN PATIENTS INAPPROPRIATE FOR METFORMIN THERAPY DPP4, DPP3, DPP7 KDM4E 895/4885GPR3 2874/4885EGFR 1788/4885
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 KDM4E 2081/4885GPR3 1379/4885EGFR 4795/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 KDM4E 2081/4885GPR3 1379/4885EGFR 4795/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 KDM4E 2081/4885GPR3 1379/4885EGFR 4795/4885

“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.