SCHEMBL1317138

SCHEMBL1317138

Nc1ncc(CCc2ccccc2)c(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.54

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
SCHEMBL2451786 0.90 CYP2D6 (0.56)
SCHEMBL8902107 0.90 CYP2D6 (0.60) DHFR
SCHEMBL3447051 0.84 CSF1R (0.47)
SCHEMBL380792 0.84 DHFR (0.67) DHFR
SCHEMBL6415720 0.83 PIN1 (0.48) DHFR
SCHEMBL1388263 0.83 CSF1R (0.52) DHFR
SCHEMBL5669553 0.83 CSF1R (0.49) DHFR
SCHEMBL6417219 0.83 DHFR (0.47) DHFR
Hydrochloric Acid SCHEMBL8377343 0.82 DHFR (0.65) DHFR
Water SCHEMBL28837029 0.82 DHFR (0.65) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP claimed
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2024-05-16 US disclosed
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2023-03-30 US disclosed
US-20210009531-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2021-01-14 US disclosed
US-20200115347-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2020-04-16 US disclosed
US-20190270713-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2019-09-05 US disclosed
CN-105593215-B 2, 4-or 4, 6-diaminopyrimidine compounds as IDH2 mutant inhibitors for the treatment of cancer 安吉奥斯医药品有限公司 2019-01-15 CN disclosed
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2018-05-24 US disclosed
US-20170096404-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP disclosed
CN-100443482-C Benzofuran derivatives and their use in the treatment of microbial infections ARPIDA AG (CH) 2008-12-17 CN disclosed
CN-101087779-A Selected benzofuran derivatives ARPIDA AG (CH) 2007-12-12 CN disclosed
CN-1820004-A Benzofuran derivatives and their use in the treatment of infections caused by bacteria ARPIDA AG (CH) 2006-08-16 CN disclosed
EP-0674627-A1 PYRIMIDINE, PYRIDINE, PTERIDINONE AND INDAZOLE DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-10-04 EP disclosed
WO-1994014780-A1 PYRIMIDINE, PYRIDINE, PTERIDINONE AND INDAZOLE DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1994-07-07 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 (8 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-20210009531-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 DHFR 1126/4885
US-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 DHFR 1307/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 DHFR 1126/4885
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 DHFR 1126/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 DHFR 1126/4885
US-20200115347-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 DHFR 1126/4885
US-20190270713-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 DHFR 1089/4885
US-20170096404-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 DHFR 1126/4885

“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.