SCHEMBL7017172

SCHEMBL7017172

C#Cc1cccc(Nc2ncnc3c2ccn3CCN2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.59
ABL1 P00519 1/20 0.58
BCR P11274 1/20 0.58
GAK O14976 1/20 0.53
RIPK2 O43353 1/20 0.53
BUB1 O43683 1/20 0.53
STK10 O94804 1/20 0.53
CARS1 P49589 1/20 0.53
MAP3K1 Q13233 1/20 0.53
PIP4K2C Q8TBX8 1/20 0.53
SLK Q9H2G2 1/20 0.53
ERBB2 P04626 2/20 0.49
ILK Q13418 1/20 0.47
ERBB4 Q15303 1/20 0.46
FBP1 P09467 1/20 0.46

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
SCHEMBL7022884 0.81 EGFR (0.60) EGFRABL1BCRGAKRIPK2
SCHEMBL7023791 0.79 EGFR (0.49) EGFRABL1BCRGAKRIPK2
SCHEMBL7661414 0.79 HRH3 (0.47) EGFRABL1BCRGAKRIPK2
SCHEMBL13514811 0.79 EGFR (0.59) EGFRGAKRIPK2BUB1STK10
SCHEMBL16363321 0.79 ABL1 (0.71) EGFRABL1BCR
SCHEMBL28700304 0.79 EGFR (0.84) EGFRABL1BCRGAKRIPK2
SCHEMBL29579338 0.79 EGFR (0.84) EGFRABL1BCRGAKRIPK2
SCHEMBL7018724 0.78 EGFR (0.59) EGFRABL1BCRGAKRIPK2
Hydrochloric Acid SCHEMBL7021265 0.78 FBP1 (0.48) EGFRABL1BCRGAKRIPK2
SCHEMBL7022406 0.78 EGFR (0.57) EGFRABL1BCRGAKRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3290666-B2 2002-06-10 JP claimed
US-6395733-B1 ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS PFIZER INC 2002-05-28 US claimed
US-20020045630-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES ARNOLD LEE DANIEL (US) 2002-04-18 US claimed
EP-0831829-A4 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 1998-11-25 EP 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
EP-0831829-B1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 2003-08-20 EP disclosed
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-0831829-A4 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 1998-11-25 EP 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 565/4885ABL1 455/4885BCR 155/4885

“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.