SCHEMBL3577804

SCHEMBL3577804

O=S(=O)(Cl)c1ccccc1Nc1ccnc(Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.43
AURKB Q96GD4 3/20 0.43
SYK P43405 1/20 0.42
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
EPHB4 P54760 2/20 0.40
EGFR P00533 1/20 0.38
SLC40A1 Q9NP59 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK8 P45983 1/20 0.37
ALK Q9UM73 1/20 0.36

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
SCHEMBL1575609 0.87 EPHB4 (0.52) AURKAAURKBSYKCDK7CDK9
SCHEMBL1491755 0.83 CDK7 (0.58) AURKAAURKBCDK7CDK9EGFR
SCHEMBL30942599 0.78 PTGS1 (0.49) AURKAAURKBSYKEPHB4EGFR
SCHEMBL1039841 0.78 PTGS1 (0.49) AURKAAURKBSYKEPHB4EGFR
SCHEMBL15492037 0.78 AURKA (0.53) AURKAAURKBSYKEPHB4
SCHEMBL27835489 0.77 CDK7 (0.42) AURKAAURKBSYKCDK7CDK9
SCHEMBL25005668 0.76 PSIP1 (0.44) AURKAAURKBSYKEGFRALDH1A1
SCHEMBL30942660 0.76 SLC40A1 (0.50) AURKAAURKBSLC40A1POLB
SCHEMBL31147659 0.76 PSIP1 (0.44) AURKAAURKBSYKEGFRALDH1A1
SCHEMBL27835487 0.76 CDK7 (0.36) AURKAAURKBSYKCDK7CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099694-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-22 US disclosed
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 US 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-20100099694-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS CHUK, IKBKB, IKBKE AURKA 637/4885AURKB 296/4885SYK 167/4885
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE AURKA 466/4885AURKB 194/4885SYK 67/4885

“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.