SCHEMBL809971

SCHEMBL809971

C#Cc1cccc(Nc2ncnc3cnccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.67
GAK O14976 3/20 0.61
FBP1 P09467 2/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
RIPK2 O43353 2/20 0.56
BUB1 O43683 2/20 0.56
STK10 O94804 2/20 0.56
MAP3K1 Q13233 2/20 0.56
PIP4K2C Q8TBX8 2/20 0.56
SLK Q9H2G2 2/20 0.56
CARS1 P49589 1/20 0.56
ERBB2 P04626 3/20 0.55
ERBB4 Q15303 2/20 0.55
ABCG2 Q9UNQ0 2/20 0.55
AURKA O14965 2/20 0.55
KDR P35968 2/20 0.55
PLK4 O00444 1/20 0.55
CIT O14578 1/20 0.55
EPHB6 O15197 1/20 0.55

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
Hydrochloric Acid SCHEMBL7538369 0.99 EGFR (0.66) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL27511964 0.91 EGFR (0.69) EGFRGAKFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7537017 0.90 EGFR (0.67) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL183355 0.84 ABCG2 (0.76) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL29894409 0.84 ABCG2 (0.76) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL7539320 0.81 EGFR (0.66) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL868020 0.81 EGFR (0.68) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL1507562 0.81 EGFR (0.67) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL7966785 0.81 CYP1A2 (0.72) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL6833182 0.81 EGFR (1.00) EGFRFBP1ERBB2ABCG2MKNK1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3290666-B2 2002-06-10 JP claimed
US-20020045630-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES ARNOLD LEE DANIEL (US) 2002-04-18 US 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-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 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
CN-1141298-A Pyrimidine-fused heterocyclic compound anti-cancer agents PFIZER (US) 1997-01-29 CN 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 (2 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EGFR 2701/4885GAK 1157/4885FBP1 2368/4885
US-20020045630-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES REV1, DPYD, CCNA1 EGFR 565/4885GAK 453/4885FBP1 197/4885

“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.