SCHEMBL7535430

SCHEMBL7535430

Cc1cc2c(N3CCc4ccc(Cl)cc43)ncnc2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.47
CSF1R P07333 1/20 0.47
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RPS6KB1 P23443 3/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
NOTUM Q6P988 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 2/20 0.38

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
SCHEMBL8093538 0.87 EGFR (0.46) EGFRCSF1RHTTKDM4EMAPT
SCHEMBL7675995 0.86 EGFR (0.47) EGFRCSF1RHTTKDM4EMAPT
SCHEMBL8646399 0.86 EGFR (0.52) EGFRCSF1RHTTKDM4EMAPT
SCHEMBL8646161 0.85 EGFR (0.48) EGFRCSF1RHTTKDM4EMAPT
SCHEMBL8650186 0.83 CYP1A2 (0.52) EGFRCSF1RHTTHSD17B10HTR2A
SCHEMBL8651028 0.82 EGFR (0.48) EGFRCSF1RHTTKDM4EMAPT
SCHEMBL7541812 0.82 EGFR (0.43) EGFRCSF1RHTTKDM4EMAPT
SCHEMBL7666110 0.82 EGFR (0.41) EGFRCSF1RKDM4EMAPTHPGD
SCHEMBL8650199 0.81 EGFR (0.49) EGFRCSF1RHTTHTR2AHTR2C
SCHEMBL8090078 0.81 EGFR (0.48) EGFRCSF1RHTTHTR2AHTR2C

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
JP-3290666-B2 2002-06-10 JP claimed
EP-0946554-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1999-10-06 EP claimed
EP-0831829-A4 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 1998-11-25 EP claimed
WO-1998023613-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-06-04 WO claimed
EP-0831829-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-04-01 EP claimed
WO-1996040142-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1996-12-19 WO claimed
US-6413971-B1 ANTIPROLIFERATIVE, -CARCINOGENIC, -TUMOR AND -DIABETIC AGENTS; BINDING TO OR MODULATING THE HUMAN KINASE INSERT-DOMAIN-CONTAINING RECEPTOR (KDR) OR THE MURINE FETAL LIVER KINASE 1 (FLK-1) RECEPTOR; VASCULOGENESIS; ANGIOGENESIS PFIZER INC 2002-07-02 US disclosed
US-6395733-B1 ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS PFIZER INC 2002-05-28 US disclosed
US-20020045630-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES ARNOLD LEE DANIEL (US) 2002-04-18 US disclosed
EP-0946554-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1999-10-06 EP disclosed
EP-0831829-A4 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 1998-11-25 EP disclosed
WO-1998023613-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-06-04 WO disclosed
EP-0831829-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040142-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1996-12-19 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 (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-20020045630-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES REV1, DPYD, CCNA1 EGFR 565/4885CSF1R 1717/4885HTT 3693/4885

“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.