SCHEMBL15041397

SCHEMBL15041397

O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n1Cc1cncnc1C1=CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.35
CCNT1 O60563 2/20 0.35
CCNK O75909 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK9 P50750 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
CDK4 P11802 10/20 0.33
CCND1 P24385 8/20 0.33
CCNA2 P20248 5/20 0.33
FGFR1 P11362 5/20 0.33
FGFR2 P21802 4/20 0.33
FGFR4 P22455 4/20 0.33
FGFR3 P22607 4/20 0.33
FLT3 P36888 2/20 0.33
CCND2 P30279 2/20 0.33
CCND3 P30281 2/20 0.33
CCNA1 P78396 1/20 0.33
CDK6 Q00534 2/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32

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
SCHEMBL15035060 0.94 CDK2 (0.37) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL15034847 0.85 CDK4 (0.34) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL15034895 0.85 CDK4 (0.36) CDK2CDK4CCND1CCNA2FGFR1
SCHEMBL15041751 0.85 CDK4 (0.34) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL15041401 0.82 FLT3 (0.37) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL15041252 0.79 CDK4 (0.34) CDK2CDK4CCND1CCNA2FGFR1
SCHEMBL15041455 0.79 CDK4 (0.36) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL15035713 0.78 PTK2 (0.37) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL15237007 0.78 CDK4 (0.35) CDK2CDK4CCND1CCNA2FGFR1
SCHEMBL15035021 0.78 CDK4 (0.36) CDK2CCNE1CDK4CCND1CCNA2

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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 CDK2 104/4885CCNT1 3603/4885CCNK 1129/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK2 183/4885CCNT1 2002/4885CCNK 757/4885

“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.