SCHEMBL7018558

SCHEMBL7018558

C#Cc1cccc(Nc2ncnc3c2ccn3S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.48
AURKA O14965 2/20 0.48
RPS6KB1 P23443 1/20 0.48
EGFR P00533 14/20 0.47
ERBB2 P04626 6/20 0.47
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
ABL1 P00519 3/20 0.47
PDGFRB P09619 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
INSR P06213 2/20 0.47
GAK O14976 3/20 0.47

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
SCHEMBL12067097 0.82 TNNI3K (0.58) EGFRBRAFTNNI3K
SCHEMBL29110516 0.78 L3MBTL1 (0.48) EGFRERBB2ABL1ALDH1A1MAPT
SCHEMBL29771427 0.78 L3MBTL1 (0.48) EGFRERBB2ABL1ALDH1A1MAPT
SCHEMBL7022406 0.78 EGFR (0.57) KDRAURKARPS6KB1EGFRERBB2
Hydrochloric Acid SCHEMBL7017577 0.77 EGFR (0.56) KDRAURKARPS6KB1EGFRERBB2
SCHEMBL7023791 0.73 EGFR (0.49) KDRAURKARPS6KB1EGFRERBB2
Hydrochloric Acid SCHEMBL7021265 0.72 FBP1 (0.48) KDRAURKARPS6KB1EGFRERBB2
SCHEMBL29894409 0.71 ABCG2 (0.76) EGFRERBB2ABL1GAKFBP1
SCHEMBL183355 0.71 ABCG2 (0.76) EGFRERBB2ABL1GAKFBP1
SCHEMBL7022884 0.71 EGFR (0.60) KDRAURKAEGFRERBB2ABL1

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 19 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-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
CN-1141298-A Pyrimidine-fused heterocyclic compound anti-cancer agents PFIZER (US) 1997-01-29 CN 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-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 (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 KDR 1533/4885AURKA 251/4885RPS6KB1 396/4885

“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.