SCHEMBL15036040

SCHEMBL15036040

COCCS(=O)(=O)c1cnc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(C3CCOC3)c2=O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.41
CCND1 P24385 13/20 0.41
FGFR1 P11362 10/20 0.41
FGFR4 P22455 10/20 0.41
CCNA2 P20248 10/20 0.41
CDK2 P24941 10/20 0.41
FGFR2 P21802 9/20 0.41
FGFR3 P22607 9/20 0.41
KDR P35968 1/20 0.39
CDK6 Q00534 1/20 0.39
JAK2 O60674 3/20 0.38
BRD4 O60885 3/20 0.38
JAK1 P23458 1/20 0.38
BRD2 P25440 1/20 0.38
JAK3 P52333 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
CCND2 P30279 2/20 0.37
CCND3 P30281 2/20 0.37
CCNA1 P78396 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
SCHEMBL16309180 0.88 CDK4 (0.43) CDK4CCND1FGFR1FGFR4CCNA2
SCHEMBL15035983 0.76 CDK4 (0.43) CDK4CCND1FGFR1FGFR4CCNA2
SCHEMBL15036150 0.75 CDK4 (0.38) CDK4CCND1FGFR1FGFR4CCNA2
SCHEMBL15041488 0.75 CDK4 (0.45) CDK4CCND1FGFR1FGFR4CCNA2
SCHEMBL15041499 0.75 CAMK2D (0.40) CDK4CCND1FGFR1FGFR4CCNA2
SCHEMBL15785236 0.74 PAK4 (0.43) CDK4CCND1FGFR1FGFR4CCNA2
SCHEMBL13553701 0.73 CDK4 (0.44) CDK4CCND1FGFR1FGFR4CCNA2
SCHEMBL15041724 0.73 CDK4 (0.38) CDK4CCND1FGFR1FGFR4CCNA2
SCHEMBL15281089 0.72 CDK2 (0.45) CDK4CCND1FGFR1FGFR4CCNA2
SCHEMBL15785319 0.72 CDK4 (0.56) CDK4CCND1FGFR1FGFR4CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 CDK4 471/4885CCND1 4379/4885FGFR1 1720/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885FGFR1 1919/4885

“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.