SCHEMBL640081

SCHEMBL640081

CCc1[c][nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GPR3 P46089 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
AHR P35869 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
DDAH1 O94760 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33

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
SCHEMBL6470274 0.84 CHRNB2 (0.41) KIF11ALDH1A1HSD17B10GPR3GPR84
SCHEMBL3096966 0.82 KIF11 (0.44) KIF11HTTMEN1MAPTKMT2A
SCHEMBL4142895 0.81 KDM4E (0.42) ALDH1A1HSD17B10CHRNB2CHRNA7CHRNA4
SCHEMBL3244780 0.80 CTSV (0.44) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL7404828 0.79 HTR2A (0.36) HTTALDH1A1HSD17B10GPR3GPR84
SCHEMBL3381548 0.79 ALDH1A1 (0.36) HTTALDH1A1HSD17B10GPR3GPR84
SCHEMBL5327645 0.79 ALDH1A1 (0.36) HTTALDH1A1HSD17B10GPR3GPR84
SCHEMBL928608 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10GPR84MEN1MAPT
SCHEMBL16432092 0.76 TAAR1 (0.46) ALDH1A1HSD17B10GPR3MEN1MAPT
SCHEMBL6709570 0.76 KMT2A (0.46) HTTALDH1A1HSD17B10GPR84AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585139-B Naphthyridinone compounds as T cell activators 百时美施贵宝公司 2023-12-01 CN claimed
EP-3814347-B1 NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-03 EP claimed
CN-112585139-A Nalidinone compounds as T cell activators 百时美施贵宝公司 2021-03-30 CN claimed
CN-111747981-A Transition metal compound and preparation method and application thereof 万华化学集团股份有限公司 2020-10-09 CN claimed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP claimed
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 US disclosed
CN-118284610-A Pyrazolotriazine derivatives as CDK9 inhibitors 原真股份有限公司 2024-07-02 CN disclosed
WO-2024133220-A1 INHIBITORS OF α-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-06-27 WO disclosed
US-20240208972-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-06-27 US disclosed
US-20240208925-A1 ISOQUINOLINE DERIVATIVES FOR USE AS ANTIVIRAL AND ANTITUMOUR AGENTS PAGS CO., LTD. (KR) 2024-06-27 US disclosed
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 WO disclosed
EP-0729460-A1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-09-04 EP disclosed
EP-0688315-A1 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-27 EP disclosed
WO-1995014008-A1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-26 WO disclosed
WO-1994021607-A1 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP 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 (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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 KIF11 4732/4885HTT 4097/4885ALDH1A1 846/4885
US-20240208925-A1 ISOQUINOLINE DERIVATIVES FOR USE AS ANTIVIRAL AND ANTITUMOUR AGENTS TP53, EIF2AK2, VHL KIF11 2421/4885HTT 3130/4885ALDH1A1 819/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 KIF11 1107/4885HTT 466/4885ALDH1A1 4623/4885
US-20240208972-A1 LRRK2 INHIBITORS AND USES THEREOF LRRK2, PINK1, PARK7 KIF11 1300/4885HTT 73/4885ALDH1A1 4316/4885
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF LRRK2, PINK1, PARK7 KIF11 1300/4885HTT 73/4885ALDH1A1 4316/4885

“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.