SCHEMBL3768019

SCHEMBL3768019

Nc1nc(Cl)nc2cc3c(cc12)OCO3

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
KDR P35968 2/20 0.49
HTT P42858 1/20 0.47
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 1/20 0.40
MPO P05164 4/20 0.39
MAPT P10636 3/20 0.38
ATM Q13315 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
SRC P12931 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
RPS6KB2 Q9UBS0 1/20 0.34

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
SCHEMBL7163627 0.82 EGFR (0.48) EGFRKDRALDH1A1KDM4EHPGD
SCHEMBL11086468 0.79 EGFR (0.58) EGFRKDRHTTALDH1A1KDM4E
SCHEMBL3522576 0.73 MAP2K4 (0.49) EGFRKDRALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL12478493 0.71 NPC1 (0.50) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6168673 0.71 HTT (0.53) HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL4230732 0.71 HTT (0.53) EGFRKDRHTTSRCLMNA
SCHEMBL5562603 0.71 SRC (0.42) EGFRKDRALDH1A1KDM4EHPGD
SCHEMBL10015393 0.70 HTT (0.49) HTTALDH1A1KDM4E
SCHEMBL4913124 0.69 ALDH1A1 (0.54) EGFRKDRHTTALDH1A1KDM4E
SCHEMBL10759577 0.69 HTT (0.37) EGFRKDRHTTSRC

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-2924037-A1 QUINAZOLINE DERIVATE AND USE THEREOF AS APOPTOSIS INHIBITOR Linx Pharmaceutical Co., Ltd. (CN) 2015-09-30 EP disclosed
EP-2785699-A1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP disclosed
WO-2013079494-A1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-2001867-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 US disclosed
US-4309541-A CHEMICAL INTERMEDIATES TO QUINAZOLINE HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
US-4255429-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed
EP-0009465-A1 N-(1-(4-amino-2-quinazolinyl)-3 or 4-piperidyl lactames, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-04-02 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-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 EGFR 857/4885KDR 320/4885HTT 2028/4885

“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.