SCHEMBL15034945

SCHEMBL15034945

CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2nccnc2-c2ccncc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.39
PKN1 Q16512 3/20 0.39
PAK4 O96013 2/20 0.39
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
FGFR1 P11362 3/20 0.39
CCND2 P30279 2/20 0.39
CCND3 P30281 2/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
EGFR P00533 1/20 0.38
JAK3 P52333 1/20 0.38
WEE1 P30291 1/20 0.38
PAK1 Q13153 3/20 0.38
MAP4K1 Q92918 2/20 0.37
PAK3 O75914 2/20 0.37
PAK2 Q13177 2/20 0.37
MAPK8 P45983 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL15035910 0.81 PAK1 (0.38) TNK2PKN1PAK4CDK4CCND1
SCHEMBL15034837 0.81 CDK4 (0.41) TNK2PKN1PAK4CDK4CCND1
SCHEMBL15035052 0.79 TNK2 (0.41) TNK2PKN1PAK4CDK4CCND1
SCHEMBL15035700 0.78 WEE1 (0.41) TNK2CDK4CCND1FGFR1CCND2
SCHEMBL15034868 0.78 PAK4 (0.43) TNK2PKN1PAK4CDK4CCND1
SCHEMBL15034978 0.77 PAK4 (0.47) PKN1PAK4EGFRJAK3WEE1
SCHEMBL15034814 0.75 PAK4 (0.46) TNK2PKN1PAK4CDK4CCND1
SCHEMBL15035822 0.74 CDK4 (0.40) TNK2CDK4CCND1FGFR1FGFR2
SCHEMBL15035364 0.74 CDK4 (0.46) TNK2PKN1PAK4CDK4CCND1
SCHEMBL15035071 0.73 JAK2 (0.41) TNK2PKN1PAK4CDK4CCND1

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-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-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
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 TNK2 10/4885PKN1 604/4885PAK4 5/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885PKN1 326/4885PAK4 5/4885

“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.