SCHEMBL15041592

SCHEMBL15041592

C#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2cnoc2-c2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.39
MEN1 O00255 3/20 0.38
CASP1 P29466 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
USP2 O75604 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CDK4 P11802 5/20 0.38
CCND1 P24385 5/20 0.38
CASP7 P55210 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TNK2 Q07912 2/20 0.37
PAK4 O96013 1/20 0.36
PKN1 Q16512 1/20 0.36
CCNA2 P20248 2/20 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
SCHEMBL15036346 0.90 PTK2 (0.39) PTK2MEN1CASP1KMT2ACYP1A2
SCHEMBL15036308 0.83 CHEK1 (0.39) CDK4CCND1TNK2CCNA2CDK2
SCHEMBL15036291 0.80 PAK4 (0.37) PTK2CDK4CCND1TNK2PAK4
SCHEMBL15258256 0.80 CDK4 (0.38) PTK2CDK4CCND1PAK4PKN1
SCHEMBL15036209 0.79 PTK2 (0.43) PTK2CDK4CCND1TNK2CCNA2
SCHEMBL15041550 0.78 PTK2 (0.51) PTK2TNK2WEE1
SCHEMBL15036494 0.77 JAK2 (0.42) PTK2CDK4CCND1PAK4PKN1
SCHEMBL15034866 0.77 PTK2 (0.36) PTK2CDK4CCND1TNK2PAK4
SCHEMBL15041750 0.77 PTK2 (0.39) PTK2CDK4CCND1PAK4PKN1
SCHEMBL15617439 0.76 CDK4 (0.37) PTK2CDK4CCND1PAK4PKN1

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 4 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-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 PTK2 80/4885MEN1 2126/4885CASP1 1526/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTK2 12/4885MEN1 2982/4885CASP1 2876/4885

“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.