SCHEMBL15035685

SCHEMBL15035685

C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2cnncc2S(=O)(=O)CC(F)(F)F)c1=O)C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.46
CCND1 P24385 16/20 0.46
CCNA2 P20248 11/20 0.46
CDK2 P24941 11/20 0.46
FGFR1 P11362 10/20 0.46
FGFR2 P21802 10/20 0.46
FGFR4 P22455 10/20 0.46
FGFR3 P22607 10/20 0.46
CCND2 P30279 4/20 0.42
CCND3 P30281 4/20 0.42
CCNA1 P78396 2/20 0.42
CDK6 Q00534 1/20 0.41
JAK2 O60674 3/20 0.40
BRD4 O60885 3/20 0.40
JAK1 P23458 1/20 0.40
BRD2 P25440 1/20 0.40
JAK3 P52333 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
CCNE2 O96020 1/20 0.39

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
SCHEMBL15041375 0.93 CDK4 (0.48) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035039 0.79 CDK4 (0.49) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035734 0.79 CDK4 (0.48) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035896 0.78 CDK4 (0.46) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15034928 0.78 CDK4 (0.48) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035725 0.77 TNK2 (0.42) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15034825 0.77 CDK4 (0.48) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035826 0.75 CAMK2D (0.38) FGFR1JAK1JAK3
SCHEMBL15035786 0.75 FGFR1 (0.44) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035754 0.74 PTK2 (0.39) CDK4CCND1CCNA2CDK2FGFR1

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 4422/4885CCNA2 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.