SCHEMBL15035852

SCHEMBL15035852

CC1=C(c2cc3cnc(Nc4ccc(N(C)C5CCCNC5)cc4)nc3n(Cc3nccnc3[S+]([O-])c3ccccc3)c2=O)CCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 10/20 0.36
CDK4 P11802 3/20 0.36
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
RIPK2 O43353 2/20 0.34
ACVR1 Q04771 2/20 0.34
NOD2 Q9HC29 2/20 0.34
CCND1 P24385 2/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL15034858 0.81 CDK4 (0.37) TNK2CDK4FGFR1CCND1JAK1
SCHEMBL15034969 0.80 CDK4 (0.37) TNK2CDK4FGFR1CCND1CCND2
SCHEMBL15035773 0.78 RIPK2 (0.34) TNK2CDK4FGFR1RIPK2ACVR1
SCHEMBL15035335 0.75 CDK4 (0.39) TNK2CDK4EGFRFGFR1CCND1
SCHEMBL15035400 0.74 CDK4 (0.36) TNK2CDK4EGFRFGFR1CCND1
SCHEMBL15035023 0.74 CDK4 (0.38) TNK2CDK4FGFR1CCND1
SCHEMBL16309176 0.73 TNK2 (0.40) TNK2CDK4EGFRFGFR1RIPK2
SCHEMBL15035728 0.73 PKN1 (0.34) TNK2CDK4FGFR1CCND1
SCHEMBL15258262 0.73 CDK4 (0.37) TNK2CDK4FGFR1CCND1CCND2
SCHEMBL13553922 0.73 CDK4 (0.39) TNK2CDK4EGFRFGFR1RIPK2

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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 TNK2 28/4885CDK4 441/4885EGFR 2509/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885CDK4 404/4885EGFR 737/4885

“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.