SCHEMBL4387590

SCHEMBL4387590

N#Cc1ccnc(Nc2cccc(O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.56
ABCG2 Q9UNQ0 2/20 0.54
ABCB1 P08183 1/20 0.54
ABCC1 P33527 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PDGFRB P09619 1/20 0.50
KDR P35968 1/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
AURKA O14965 3/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
AURKB Q96GD4 1/20 0.46
CDK4 P11802 1/20 0.45
CDK2 P24941 1/20 0.45
RPS6KB1 P23443 1/20 0.44
BRAF P15056 1/20 0.44
NPC1 O15118 1/20 0.43
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL5225996 0.92 SYK (0.49) SYKABCG2ABCB1ABCC1HDAC6
SCHEMBL5225661 0.88 ABCG2 (0.47) SYKABCG2ABCB1ABCC1HDAC6
SCHEMBL3951723 0.82 HTR3E (0.55) ABCG2PDGFRBMAPTAURKAAURKB
SCHEMBL26186325 0.79 BRAF (0.50) SYKABCG2KDRMAPTAURKA
SCHEMBL21312570 0.78 SYK (0.59) SYKABCG2HDAC6TP53MAPT
SCHEMBL21312568 0.76 SYK (0.56) SYKHDAC6TP53MAPTCYP3A4
SCHEMBL8054718 0.76 NPC1 (0.65) SYKABCG2HDAC6TP53MAPT
SCHEMBL26186627 0.75 ABCG2 (0.45) SYKABCG2KDRAURKAAURKB
SCHEMBL1667452 0.75 SYK (0.58) SYKPDGFRBKDRAURKBCDK4
SCHEMBL1319475 0.75 TP53 (0.71) SYKHDAC6TP53MAPTCYP3A4

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
EP-1751146-B1 PYRIDINYL- OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LTD (GB) 2009-12-02 EP disclosed
US-20080318954-A1 Compounds CYCLACEL LIMITED (GB) 2008-12-25 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 (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-20080318954-A1 Compounds CBR3, NR3C2, NR5A1 SYK 3919/4885ABCG2 2525/4885ABCB1 1275/4885

“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.