SCHEMBL15035919

SCHEMBL15035919

CN(c1ccccc1)c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2nccnc2[S+]([O-])c2nccs2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.35
CCND1 P24385 6/20 0.35
CCNA2 P20248 4/20 0.35
CDK2 P24941 4/20 0.35
RIPK2 O43353 3/20 0.34
ACVR1 Q04771 3/20 0.34
NOD2 Q9HC29 3/20 0.34
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
SRC P12931 1/20 0.33
TNK2 Q07912 1/20 0.33
MEN1 O00255 3/20 0.33
USP2 O75604 3/20 0.33
KMT2A Q03164 3/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
FGFR3 P22607 2/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL15035054 0.82 CDK4 (0.36) CDK4CCND1CCNA2CDK2RIPK2
SCHEMBL15034845 0.79 RIPK2 (0.35) CDK4CCND1CCNA2CDK2RIPK2
SCHEMBL15035710 0.78 CDK4 (0.35) CDK4CCND1CCNA2CDK2RIPK2
SCHEMBL15035831 0.78 PLK2 (0.39) CDK4CCND1CCNA2CDK2RIPK2
SCHEMBL15034947 0.78 RIPK2 (0.36) CDK4CCND1CCNA2CDK2RIPK2
SCHEMBL15041190 0.78 RIPK2 (0.35) CDK4CCND1CCNA2CDK2RIPK2
SCHEMBL15035473 0.74 CDK4 (0.41) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035669 0.74 FGFR1 (0.36) CDK4CCND1CCNA2CDK2TNK2
SCHEMBL15035736 0.73 JAK3 (0.39) CDK4CCND1CCNA2CDK2TNK2
SCHEMBL15035369 0.73 CDK4 (0.39) CDK4CCND1CCNA2CDK2RIPK2

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-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-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 CDK4 441/4885CCND1 4422/4885CCNA2 3343/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885CCNA2 2011/4885

“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.