SCHEMBL4486501

SCHEMBL4486501

NN(c1ccccc1)c1ncc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ GPR3 P46089 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PTBP1 P26599 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ MGAM O43451 1/20 0.35

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
Hydrochloric Acid SCHEMBL27842484 0.81 CYP1A2 (0.41) CYP1A2ALDH1A1GLAHPGDMAPT
SCHEMBL17061539 0.78 CYP1A2 (0.47) CYP1A2ALDH1A1GLAHPGDMAPT
Hydrochloric Acid SCHEMBL27823349 0.77 CYP1A2 (0.41) CYP1A2ALDH1A1GLAHPGDMAPT
Hydrochloric Acid SCHEMBL10583130 0.77 CYP1A2 (0.47) CYP1A2KDM4EEGFRNPC1RAB9A
SCHEMBL4487839 0.76 ALDH1A1 (0.43) CYP1A2ALDH1A1GLAHPGDMAPT
SCHEMBL12003727 0.75 CYP1A2 (0.56) CYP1A2ALDH1A1GLAHPGDMAPT
SCHEMBL31391395 0.75 CYP1A2 (0.56) CYP1A2ALDH1A1GLAHPGDMAPT
SCHEMBL2267486 0.75 CFTR (0.40) CYP1A2ALDH1A1KDM4EGPR3EGFR
SCHEMBL7511419 0.74 ALDH1A1 (0.41) CYP1A2ALDH1A1MAPTKDM4ENPC1
Hydrochloric Acid SCHEMBL10583489 0.73 MAPT (0.48) CYP1A2ALDH1A1HPGDMAPTKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739306-A2 POLO-LIKE KINASE 1 INHIBITORS Cervero Therapeutics, LLC (US) 2026-05-13 — — EP disclosed
CN-109305944-B Inhibitors of bruton's tyrosine kinase 深圳睿熙生物科技有限公司 2022-09-02 — — CN disclosed
US-20220017484-A1 INHIBITOR OF BRUTON TYROSINE KINASE BEIJING RECIPROCAPHARMACEUTICALS CO., LTD. (CN) 2022-01-20 — — US disclosed
EP-3882241-A1 INHIBITOR OF BRUTON'S TYROSINE KINASE Beijing Reciprocapharmaceuticals Co., Ltd. (CN) 2021-09-22 — — EP disclosed
CN-111170986-A Inhibitors of bruton's tyrosine kinase 北京睿熙生物科技有限公司 2020-05-19 — — CN disclosed
CN-109305944-A The inhibitor of bruton's tyrosine kinase 深圳睿熙生物科技有限公司 2019-02-05 — — CN disclosed
US-7572798-B2 Prevent Dna damage; antitumor, anticancer agents; blocking epidermal growth factor receptor MCGILL UNIVERSITY (CA) 2009-08-11 — — US disclosed
EP-1366027-B1 COMBI-MOLECULES HAVING SIGNAL TRANSDUCTION INHIBITORY PROPERTIES AND DNA DAMAGING PROPERTIES UNIV MCGILL (CA) 2006-09-20 — — EP disclosed
US-20040086907-A1 Combi-molecules having signal transduction inhibitory properties and dna damaging properties QIU, QIYU 2004-05-06 — — US disclosed
EP-1366027-A1 COMBI-MOLECULES HAVING SIGNAL TRANSDUCTION INHIBITORY PROPERTIES AND DNA DAMAGING PROPERTIES McGILL UNIVERSITY (CA) 2003-12-03 — — EP disclosed
WO-2002068396-A1 COMBI-MOLECULES HAVING SIGNAL TRANSDUCTION INHIBITORY PROPERTIES AND DNA DAMAGING PROPERTIES MCGILL UNIVERSITY (CA) 2002-09-06 — — 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 (2 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-20220017484-A1 INHIBITOR OF BRUTON TYROSINE KINASE BTK, LYN, SYK CYP1A2 1994/4885ALDH1A1 3933/4885GLA 2879/4885
US-20040086907-A1 Combi-molecules having signal transduction inhibitory properties and dna damaging properties EGFR, PCNA, ERCC2 CYP1A2 4622/4885ALDH1A1 2925/4885GLA 1695/4885

“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.

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