SCHEMBL3089639

SCHEMBL3089639

[CH2]c1ccc(-n2ccnn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 16/20 0.64
CYP19A1 P11511 1/20 0.50
KEAP1 Q14145 1/20 0.47
BRS3 P32247 1/20 0.36

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
SCHEMBL10447781 0.89 NOTUM (0.78) NOTUMCYP19A1KEAP1BRS3
SCHEMBL6877497 0.83 NOTUM (0.60) NOTUMCYP19A1KEAP1BRS3
SCHEMBL1186707 0.78 NOTUM (0.64) NOTUMCYP19A1KEAP1
SCHEMBL21777006 0.78 NOTUM (1.00) NOTUMCYP19A1KEAP1
SCHEMBL482167 0.78 NOTUM (0.64) NOTUMCYP19A1KEAP1
SCHEMBL8117312 0.78 NOTUM (0.64) NOTUMCYP19A1KEAP1BRS3
SCHEMBL239581 0.78 NOTUM (1.00) NOTUMCYP19A1KEAP1
SCHEMBL11102521 0.78 NOTUM (1.00) NOTUMCYP19A1KEAP1
SCHEMBL76794 0.78 NOTUM (0.64) NOTUMCYP19A1KEAP1BRS3
SCHEMBL3681868 0.78 NOTUM (0.64) NOTUMCYP19A1KEAP1BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP claimed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US claimed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US claimed
CN-101743229-A quinazolinamide derivatives MERCK PATENT GMBH 2010-06-16 CN claimed
EP-2164833-A2 QUINAZOLINAMIDE DERIVATIVES Merck Patent GmbH (DE) 2010-03-24 EP claimed
WO-2009010139-A2 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-01-22 WO claimed
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP disclosed
CN-101743229-B Quinazolinamide derivatives MERCK PATENT GMBH 2013-08-14 CN disclosed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
CN-101743229-A quinazolinamide derivatives MERCK PATENT GMBH 2010-06-16 CN disclosed
EP-2164833-A2 QUINAZOLINAMIDE DERIVATIVES Merck Patent GmbH (DE) 2010-03-24 EP disclosed
WO-2009010139-A2 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-01-22 WO disclosed
EP-0796270-A2 PEPTIDE COMPOUNDS FOR PREVENTION AND/OR TREATMENT OF NO-MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-24 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 (1 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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P NOTUM 4474/4885CYP19A1 1951/4885KEAP1 880/4885

“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.