SCHEMBL15036205

SCHEMBL15036205

CC#Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2ccccc2S(=O)(=O)CC)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.52
CDK4 P11802 6/20 0.52
CCND1 P24385 6/20 0.52
CCND2 P30279 5/20 0.52
CCND3 P30281 5/20 0.52
PAK4 O96013 1/20 0.50
PAK1 Q13153 1/20 0.50
PKN1 Q16512 1/20 0.50
FGFR1 P11362 2/20 0.49
PIK3CD O00329 1/20 0.49
PRKAB2 O43741 1/20 0.49
NUAK1 O60285 1/20 0.49
CCNT1 O60563 1/20 0.49
ABL1 P00519 1/20 0.49
FYN P06241 1/20 0.49
CDK1 P06493 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49
CCNB1 P14635 1/20 0.49

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
SCHEMBL15035632 0.93 WEE1 (0.54) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15041336 0.93 CDK4 (0.59) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15030246 0.90 FGFR4 (0.50) WEE1CDK4CCND1CCND2CCND3
SCHEMBL9988331 0.89 WEE1 (0.54) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15036197 0.88 WEE1 (0.54) WEE1CDK4CCND1CCND2CCND3
SCHEMBL9988749 0.87 WEE1 (0.59) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15036178 0.87 CDK4 (0.59) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15030248 0.86 WEE1 (0.51) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15035629 0.85 WEE1 (0.57) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15035634 0.85 WEE1 (0.65) WEE1CDK4CCND1CCND2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 US disclosed
US-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 US disclosed
US-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-19 US disclosed
US-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-19 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 WEE1 763/4885CDK4 397/4885CCND1 3936/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 WEE1 545/4885CDK4 404/4885CCND1 2153/4885

“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.