SCHEMBL15035929

SCHEMBL15035929

C=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2ccnn2S(=O)(=O)CCN(C)C)c1=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.36
CCND1 P24385 4/20 0.36
FGFR1 P11362 4/20 0.36
CCNA2 P20248 3/20 0.36
FGFR2 P21802 3/20 0.36
FGFR4 P22455 3/20 0.36
FGFR3 P22607 3/20 0.36
CDK2 P24941 3/20 0.36
PTK2 Q05397 2/20 0.34
JAK2 O60674 3/20 0.34
BRD4 O60885 3/20 0.34
JAK3 P52333 2/20 0.34
JAK1 P23458 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
AURKA O14965 4/20 0.33
CDK1 P06493 4/20 0.33
CCNB1 P14635 4/20 0.33
PAK4 O96013 1/20 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
SCHEMBL15041456 0.94 CDK4 (0.38) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15035821 0.80 EGFR (0.36) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15035839 0.79 CDK4 (0.38) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15277140 0.77 JAK3 (0.35) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15035070 0.77 FGFR1 (0.36) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15035754 0.76 PTK2 (0.39) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15035048 0.76 CDK4 (0.36) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15034866 0.76 PTK2 (0.36) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15280220 0.75 JAK3 (0.37) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15034991 0.75 CDK4 (0.38) CDK4CCND1FGFR1CCNA2FGFR2

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
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

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 4422/4885FGFR1 2209/4885
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.