SCHEMBL374322

SCHEMBL374322

COc1ccc(Cl)c(N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
HTR2B P41595 4/20 0.42
DYRK1A Q13627 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
S1PR4 O95977 1/20 0.39
HSP90AA1 P07900 1/20 0.39
G6PD P11413 1/20 0.39
S1PR1 P21453 1/20 0.39
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 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
SCHEMBL2848852 0.84 GAA (0.45) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL10949613 0.82 HTR2A (0.46) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL6777378 0.80 TUBB4A (0.45) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL6776267 0.80 ALDH1A1 (0.42) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL23888219 0.80 ALDH1A1 (0.42) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL4406929 0.78 HTR2A (0.44) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL17142269 0.78 MAPT (0.44) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL6736267 0.78 HTR2A (0.44) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL27285656 0.78 MAPT (0.44) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL30715275 0.78 ALDH1A1 (0.46) GAANPC1HTR2AHTR2CHTR2B

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
CN-112341344-B Preparation method of kinase inhibitor intermediate 上海喀露蓝科技有限公司 2021-10-26 CN disclosed
CN-112341344-A Preparation method of kinase inhibitor intermediate 上海喀露蓝科技有限公司 2021-02-09 CN disclosed
EP-2755944-B1 BIARYLDERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2017-06-14 EP disclosed
EP-2755944-B1 BIARYLDERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2017-06-14 EP disclosed
US-9624159-B2 Aniline derivatives, their preparation and their therapeutic application SANOFI (FR) 2017-04-18 US disclosed
US-9624159-B2 Aniline derivatives, their preparation and their therapeutic application SANOFI (FR) 2017-04-18 US disclosed
US-9624159-B2 Aniline derivatives, their preparation and their therapeutic application SANOFI (FR) 2017-04-18 US disclosed
US-20160199330-A1 ANILINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2016-07-14 US disclosed
US-20160199330-A1 ANILINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2016-07-14 US disclosed
US-20160199330-A1 ANILINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2016-07-14 US disclosed
WO-2010049302-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 WO disclosed
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-04-29 US disclosed
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-05-28 US disclosed
CN-101035769-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2007-09-12 CN disclosed
EP-1761505-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2007-03-14 EP disclosed
WO-2006000420-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-01-05 WO disclosed
EP-0377896-A2 Cyclooxygenase and 5-lipoxygenase inhibiting hydroxamic acid derivatives CIBA-GEIGY AG (CH) 1990-07-18 EP disclosed
EP-0048363-B1 IMIDAZOLE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND DRUGS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-07-31 EP disclosed
US-4366160-A ANALGESICS HOFFMANN-LA ROCHE INC. (US) 1982-12-28 US disclosed
EP-0048363-A2 Imidazole derivatives, processes and intermediates for their preparation and drugs containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-03-31 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 (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-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 GAA 1213/4885NPC1 2089/4885HTR2A 4355/4885
US-20160199330-A1 ANILINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CYP11B1, ARG2, CYP11B2 GAA 2628/4885NPC1 666/4885HTR2A 862/4885
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES GPBAR1, GPR119, GLP1R GAA 1013/4885NPC1 504/4885HTR2A 327/4885

“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.