SCHEMBL15035569

SCHEMBL15035569

C=C1C=Cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2N1C1Cc2ccccc2CS1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.43
CCND1 P24385 6/20 0.43
CCNE1 P24864 4/20 0.43
CDK2 P24941 4/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
WEE1 P30291 1/20 0.41
CDK6 Q00534 10/20 0.41
CSF1R P07333 7/20 0.41
FLT3 P36888 1/20 0.41
BTK Q06187 1/20 0.41
CCNT1 O60563 3/20 0.40
CCND3 P30281 3/20 0.40
CDK9 P50750 3/20 0.40
PAK3 O75914 1/20 0.40
PAK4 O96013 1/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
PAK1 Q13153 1/20 0.40
PAK2 Q13177 1/20 0.40

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
SCHEMBL15035466 0.82 CDK4 (0.43) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL15035363 0.82 CDK4 (0.41) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL15041582 0.78 CDK4 (0.49) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL10346808 0.71 CDK4 (0.49) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL10192640 0.69 CDK4 (0.59) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL25046074 0.67 EGFR (0.57) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL29536837 0.66 CDK4 (0.46) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL25437543 0.66 CDK4 (0.46) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL10192641 0.66 CDK4 (0.57) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL14575280 0.65 ACVR1 (0.47) CDK4CCND1CCNE1CDK2CDK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885CCNE1 1585/4885

“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.