SCHEMBL3404366

SCHEMBL3404366

Clc1cc(Cc2ccccc2)nc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HSP90AB1 P08238 1/20 0.49
BRD4 O60885 6/20 0.44
CALM1 P0DP23 1/20 0.42
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2B P41595 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ADCY10 Q96PN6 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL3408439 0.90 ALDH1A1 (0.45) ALDH1A1HSP90AB1BRD4POLBHTR2B
SCHEMBL5674666 0.85 KCNH2 (0.52) ALDH1A1L3MBTL1SMN1; SMN2MEN1HPGD
SCHEMBL3407806 0.83 PNMT (0.46) HSP90AB1CYP3A4ADCY10
SCHEMBL9322005 0.82 ALDH1A1 (0.52) ALDH1A1HSP90AB1BRD4CALM1POLB
SCHEMBL604508 0.81 ALDH1A1 (0.50) ALDH1A1HSP90AB1BRD4CALM1POLB
SCHEMBL3718901 0.81 HSP90AB1 (0.74) ALDH1A1HSP90AB1SMN1; SMN2KDM4EADCY10
SCHEMBL2270349 0.81 ALDH1A1 (0.46) ALDH1A1BRD4POLBMEN1HPGD
SCHEMBL16399558 0.81 ALDH1A1 (0.46) ALDH1A1HSP90AB1BRD4CALM1POLB
SCHEMBL5591246 0.80 ADCY10 (0.45) HSP90AB1BRD4RAB9AHTR2BADCY10
SCHEMBL2369913 0.77 CALM1 (0.55) ALDH1A1HSP90AB1CALM1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-11130749-B2 2021-09-28 US disclosed
EP-3194385-B3 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM CHRONOS THERAPEUTICS LTD (GB) 2021-02-17 EP disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 EP disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 US disclosed
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO disclosed
EP-3194385-B1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM CHRONOS THERAPEUTICS LTD (GB) 2018-06-20 EP disclosed
US-9920053-B2 N-(hetero)aryl-substituted heteroyclic derivatives useful for the treatment of diseases or conditions related to the central nervous system CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-20 US disclosed
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2008-06-19 US disclosed
US-7329680-B2 Heterocycle substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-02-12 US disclosed
EP-1844043-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2007-10-17 EP disclosed
WO-2007023382-A2 PYRIMIDINE AMINO PYRAZOLE COMPOUNDS, POTENT KINASE INHIBITORS PFIZER INC. (US) 2007-03-01 WO disclosed
WO-2007023382-A2 PYRIMIDINE AMINO PYRAZOLE COMPOUNDS, POTENT KINASE INHIBITORS PFIZER INC. (US) 2007-03-01 WO disclosed
US-20060122222-A1 Heterocycle substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055708-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
EP-1628970-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes of Pharmaceutical Discovery, LLC (US) 2006-03-01 EP disclosed
US-20050004114-A1 Heterocycle substituted carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2005-01-06 US disclosed
WO-2004099192-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES OF PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO 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 (6 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-20050004114-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ ALDH1A1 287/4885HSP90AB1 494/4885BRD4 1716/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ALDH1A1 4501/4885HSP90AB1 855/4885BRD4 3618/4885
US-11130749-B2 ROCK1, RHOA, ROCK2 ALDH1A1 4171/4885HSP90AB1 416/4885BRD4 3160/4885
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids PTPRC, PTPRS, PTPRJ ALDH1A1 287/4885HSP90AB1 494/4885BRD4 1716/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ALDH1A1 4501/4885HSP90AB1 855/4885BRD4 3618/4885
US-20060122222-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ ALDH1A1 287/4885HSP90AB1 494/4885BRD4 1716/4885

“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.