SCHEMBL4534377

SCHEMBL4534377

Oc1cnc2cc(Br)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
ESR2 Q92731 2/20 0.46
BACE1 P56817 2/20 0.42
DYRK1A Q13627 2/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
ACVR1 Q04771 1/20 0.42
ROCK1 Q13464 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MEN1 O00255 3/20 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
SCHEMBL163889 0.84 MAP4K4 (0.54) CYP1A2CYP2C19HTTBACE1DYRK1A
SCHEMBL28203717 0.81 ESR2 (0.66) CYP1A2ESR2DYRK1APDGFRBPDGFRA
SCHEMBL5543038 0.76 ALDH1A1 (0.50) CYP1A2ESR2BACE1DYRK1APDGFRB
SCHEMBL29612903 0.76 HTT (0.50) CYP1A2CYP2C19HTTBACE1DYRK1A
SCHEMBL29612573 0.76 CYP1A2 (0.57) CYP1A2CYP2C19HTTBACE1DYRK1A
SCHEMBL4541521 0.76 CYP1A2 (0.50) CYP1A2CYP2C19HTTESR2BACE1
SCHEMBL4541479 0.76 HTT (0.50) CYP1A2CYP2C19HTTBACE1DYRK1A
SCHEMBL31727625 0.76 CYP1A2 (0.50) CYP1A2CYP2C19HTTESR2BACE1
SCHEMBL30544044 0.76 CYP1A2 (0.50) CYP1A2CYP2C19HTTESR2BACE1
SCHEMBL4539841 0.76 KDM4E (0.52) CYP1A2CYP2C19HTTBACE1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024238406-A1 FUROPYRIDINE COMPOUNDS AS P53 MUTANT STABILIZER AND USES THEREOF FRONTIER MEDICINES CORPORATION (US) 2024-11-21 WO disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
EP-4353235-A2 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2024-04-17 EP disclosed
CN-112521387-B NLRP3 modulators 先天肿瘤免疫公司 2023-08-22 CN disclosed
WO-2022077161-A1 COMPOUNDS FOR MODULATING ACTIVITY OF FXR AND USES THEREOF GANNEX PHARMA CO., LTD. (CN) 2022-04-21 WO disclosed
CN-112521387-A NLRP3 modulators 先天肿瘤免疫公司 2021-03-19 CN disclosed
EP-3784670-A1 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2021-03-03 EP disclosed
CN-112074516-A NLRP3 modulators 先天肿瘤免疫公司 2020-12-11 CN disclosed
WO-2014008223-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-01-09 WO disclosed
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
WO-2013052716-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-11 WO disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 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 (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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD CYP1A2 558/4885CYP2C19 1134/4885HTT 2959/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 CYP1A2 312/4885CYP2C19 1013/4885HTT 3758/4885

“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.