SCHEMBL15035797

SCHEMBL15035797

COCCS(=O)(=O)c1ocnc1Cn1c(=O)c(N(C)c2ccccc2)cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 6/20 0.38
JAK3 P52333 4/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
CCND2 P30279 2/20 0.38
CCND3 P30281 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
EGFR P00533 1/20 0.36
RIPK2 O43353 3/20 0.36
ACVR1 Q04771 3/20 0.36
NOD2 Q9HC29 3/20 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
SCHEMBL15277167 0.79 TNK2 (0.39) TNK2JAK3EGFRFGFR1
SCHEMBL15035897 0.79 JAK2 (0.40) JAK3CDK4CCND1CCND2CCND3
SCHEMBL15035650 0.78 PAK4 (0.42) TNK2JAK3CDK4CCND1CCND2
SCHEMBL15034800 0.78 TNK2 (0.39) TNK2JAK3EGFRFGFR1
SCHEMBL15041414 0.77 JAK2 (0.39) JAK3CDK4CCND1CCND2CCND3
SCHEMBL15041343 0.77 TNK2 (0.38) TNK2JAK3EGFRFGFR1
SCHEMBL15034976 0.77 MAPK14 (0.40) TNK2JAK3EGFRFGFR1
SCHEMBL15041239 0.76 TNK2 (0.38) TNK2JAK3EGFR
SCHEMBL15034909 0.75 EGFR (0.37) TNK2JAK3CDK4CCND1CCND2
SCHEMBL15035669 0.73 FGFR1 (0.36) TNK2JAK3CDK4CCND1CCND2

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 28/4885JAK3 525/4885CDK4 441/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885JAK3 1901/4885CDK4 404/4885

“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.