SCHEMBL5352893

SCHEMBL5352893

Cc1nc(C)c(-c2cc(Cl)ncn2)s1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.45
CDK4 P11802 6/20 0.45
CCNE1 P24864 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
COMT P21964 9/20 0.44
TRPV4 Q9HBA0 1/20 0.39
OPRM1 P35372 1/20 0.38
AURKA O14965 1/20 0.38
CDK1 P06493 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
AURKB Q96GD4 1/20 0.38
NR2F2 P24468 1/20 0.37
PLK1 P53350 1/20 0.37

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
SCHEMBL15507434 0.70 TTK (0.45) CDK2CDK4CCNE1LMNAHTT
SCHEMBL21871437 0.69 SMN1; SMN2 (0.46) HTT
SCHEMBL28776134 0.69 CDK2 (0.66) CDK2CDK4CCNE1LMNAHTT
SCHEMBL5318384 0.68 CDK4 (0.45) CDK2CDK4CCNE1LMNAHTT
SCHEMBL12537263 0.67 COMT (0.52) CDK2CDK4CCNE1LMNAHTT
SCHEMBL2090003 0.67 COMT (0.42) CDK2CDK4CCNE1LMNAHTT
SCHEMBL1781026 0.66 CDC7 (0.39) CDK7CDK9
SCHEMBL7220708 0.66 LMNA (0.53) CDK2CDK4CCNE1LMNAHTT
SCHEMBL15051745 0.64 GRM5 (0.40) CDK7CDK9
SCHEMBL16434004 0.64 LMNA (0.72) LMNAHTTTRPV4OPRM1NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 CDK2 8/4885CDK4 57/4885CCNE1 407/4885

“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.