SCHEMBL12354

SCHEMBL12354

Cc1ccc2cn[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
MAPT P10636 5/20 0.59
NOS1 P29475 3/20 0.59
DYRK1A Q13627 2/20 0.59
METAP2 P50579 2/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 1/20 0.59
PKM P14618 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 5/20 0.57
FGFR1 P11362 7/20 0.54
POLB P06746 1/20 0.52
FGFR2 P21802 2/20 0.52
FGFR3 P22607 1/20 0.52
CYP3A4 P08684 2/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
HSP90AA1 P07900 1/20 0.50
IDO1 P14902 1/20 0.50
CDK2 P24941 1/20 0.50

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
SCHEMBL20060303 1.00 KDM4E (0.59) KDM4EMAPTNOS1DYRK1AMETAP2
SCHEMBL13115655 0.84 FGFR1 (0.71) KDM4EMAPTNOS1DYRK1AMETAP2
Trifluoroacetic Acid SCHEMBL29803957 0.83 METAP2 (0.51) KDM4EMAPTNOS1DYRK1AMETAP2
SCHEMBL29409358 0.83 ROCK2 (0.59) KDM4EMAPTNOS1DYRK1AMETAP2
SCHEMBL12872 0.83 ROCK2 (0.59) KDM4EMAPTNOS1DYRK1AMETAP2
Bromide SCHEMBL17924434 0.81 ROCK2 (0.57) KDM4EMAPTNOS1DYRK1AMETAP2
SCHEMBL8264120 0.80 FGFR1 (0.70) KDM4EMAPTNOS1DYRK1AMETAP2
SCHEMBL11575046 0.77 GAA (0.50) KDM4EMAPTNOS1DYRK1AMETAP2
SCHEMBL25860940 0.77 KDM1A (0.58) KDM4EMAPTNOS1DYRK1AMETAP2
SCHEMBL14349688 0.75 IDO1 (0.42) KDM4EMAPTMETAP2HTTMEN1

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 1335 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111788183-B Heterocyclic fused phenyl compounds useful for inhibiting TNIK and medical uses thereof 韩国化学硏究院 2024-02-23 CN claimed
EP-3749647-B1 N-(5-(PHENYL)-1H-PYRAZOL-3-YL)-1H-INDOL-5-AMINE DERIVATIVES AS TNIK INHIBITORS FOR THE TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-09-27 EP claimed
US-11447469-B2 Hetero ring-fused phenyl compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-09-20 US claimed
US-20210047300-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-02-18 US claimed
EP-3749647-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2020-12-16 EP claimed
CN-111788183-A Heterocyclic fused phenyl compounds for inhibiting TNIK and medical uses thereof 韩国化学硏究院 2020-10-16 CN claimed
WO-2019156438-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-08-15 WO claimed
CN-1215060-C Fused pyrazolyl compounds, compositions containing the same, and uses of the compounds YONGXIN MEDICINE INDUSTRY CO L (CN) 2005-08-17 CN claimed
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP claimed
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US claimed
EP-0904769-A1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method L'OREAL (FR) 1999-03-31 EP claimed
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US claimed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US claimed
WO-1997008150-A1 SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-06 WO claimed
WO-1996029329-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-26 WO claimed
US-5559110-A HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 US claimed
US-20260015351-A1 METHODS AND COMPOUNDS FOR INHIBITING MKK7 ENZYMES AXONIS THERAPEUTICS INC (US) 2026-01-15 US disclosed
US-4143149-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-06 US disclosed

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

For each of this compound's patents that has machine-readable text (3 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-20260015351-A1 METHODS AND COMPOUNDS FOR INHIBITING MKK7 ENZYMES PRKCSH, MAPK7, PRKCB KDM4E 1995/4885MAPT 4035/4885NOS1 4056/4885
US-20210047300-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK KDM4E 1486/4885MAPT 3307/4885NOS1 1976/4885
US-11447469-B2 Hetero ring-fused phenyl compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK KDM4E 1486/4885MAPT 3307/4885NOS1 1976/4885

“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.