SCHEMBL15036087

SCHEMBL15036087

O=c1c(-c2ccc(S(=O)(=O)c3cccs3)cc2C(F)(F)F)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.38
CCNK O75909 11/20 0.38
CDK12 Q9NYV4 11/20 0.38
CCNT1 O60563 9/20 0.38
CCNE1 P24864 9/20 0.38
CDK2 P24941 9/20 0.38
CDK9 P50750 9/20 0.38
CDK7 P50613 4/20 0.38
CCNH P51946 4/20 0.38
FLT3 P36888 2/20 0.38
WEE1 P30291 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
MNAT1 P51948 3/20 0.37
TNK2 Q07912 1/20 0.36

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
SCHEMBL15041518 0.92 CHEK1 (0.37) CHEK1CCNKCDK12CCNT1CCNE1
SCHEMBL15036010 0.82 TNK2 (0.44) CHEK1CCNKCDK12CCNT1CCNE1
SCHEMBL15036051 0.78 CDK7 (0.48) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL15036135 0.75 WEE1 (0.43) CDK2WEE1CDK4CCND1CCND2
SCHEMBL15035997 0.74 WEE1 (0.38) CDK2WEE1CDK4CCND1CCND2
SCHEMBL14682063 0.73 CDK4 (0.38) CHEK1CCNT1CDK2CDK9CDK7
SCHEMBL15281037 0.73 WEE1 (0.40) CDK2WEE1CDK4CCND1CCND2
SCHEMBL10246428 0.72 WEE1 (0.44) CHEK1CCNKCDK12CCNT1CCNE1
SCHEMBL13553810 0.72 CDK4 (0.37) CDK2WEE1CDK4CCND1CCND2
SCHEMBL15041262 0.71 CDK4 (0.39) CCNT1CDK2CDK9CDK7CCNH

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-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

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 CHEK1 947/4885CCNK 2036/4885CDK12 1211/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CHEK1 212/4885CCNK 757/4885CDK12 895/4885

“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.