SCHEMBL15035903

SCHEMBL15035903

O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n1Cc1ncoc1S(=O)(=O)CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
PAK3 O75914 1/20 0.38
PAK4 O96013 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
PAK1 Q13153 1/20 0.38
PAK2 Q13177 1/20 0.38
PKN1 Q16512 1/20 0.38
BRD4 O60885 6/20 0.38
JAK2 O60674 3/20 0.38
MTOR P42345 7/20 0.38
JAK1 P23458 2/20 0.37
BRD2 P25440 2/20 0.37
JAK3 P52333 2/20 0.37
BRD3 Q15059 2/20 0.37
BRDT Q58F21 2/20 0.37
TNK2 Q07912 1/20 0.36
CDK4 P11802 1/20 0.35

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
SCHEMBL15277170 0.95 BRD4 (0.40) CCNA2CDK2CCNA1PAK3PAK4
SCHEMBL15041635 0.81 BRD4 (0.42) CCNA2CDK2CCNA1PAK3PAK4
SCHEMBL15035040 0.81 CCNA2 (0.41) CCNA2CDK2CCNA1PAK3PAK4
SCHEMBL15034828 0.81 CCNA2 (0.41) CCNA2CDK2CCNA1PAK3PAK4
SCHEMBL15034936 0.79 CCNA2 (0.39) CCNA2CDK2CCNA1PAK3PAK4
SCHEMBL15035738 0.76 CCNA2 (0.39) CCNA2CDK2CCNA1PAK3PAK4
SCHEMBL15035557 0.73 CDK2 (0.43) CCNA2CDK2CCNA1PAK3PAK4
SCHEMBL15035455 0.72 CCNA2 (0.43) CCNA2CDK2CCNA1PAK3PAK4
SCHEMBL15035351 0.72 CDK2 (0.45) CCNA2CDK2CCNA1PAK3PAK4
SCHEMBL15041545 0.69 PAK3 (0.52) CCNA2CDK2PAK3PAK4LIMK1

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-20130252967-A1 8-(SULFONYLBENZYL)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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 CCNA2 3343/4885CDK2 211/4885CCNA1 4127/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CCNA2 2011/4885CDK2 183/4885CCNA1 1938/4885

“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.