SCHEMBL15035988

SCHEMBL15035988

CCn1c(=O)c(-c2ccc([S+]([O-])C3CC3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 5/20 0.75
PKN1 Q16512 4/20 0.75
PAK4 O96013 3/20 0.75
PAK3 O75914 3/20 0.67
PAK2 Q13177 3/20 0.67
WEE1 P30291 1/20 0.67
CDK4 P11802 2/20 0.55
CCND1 P24385 2/20 0.55
CCND2 P30279 2/20 0.55
CCND3 P30281 2/20 0.55
SRC P12931 3/20 0.54
FGFR1 P11362 2/20 0.54
FGFR2 P21802 1/20 0.54
FGFR4 P22455 1/20 0.54
FGFR3 P22607 1/20 0.54
LIMK1 P53667 1/20 0.52
LIMK2 P53671 1/20 0.52
TNK2 Q07912 9/20 0.52
EGFR P00533 1/20 0.48

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
SCHEMBL15035985 0.98 PAK1 (0.74) PAK1PKN1PAK4PAK3PAK2
SCHEMBL16309170 0.91 PAK1 (0.80) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15035989 0.91 PAK1 (0.80) PAK1PKN1PAK4PAK3PAK2
SCHEMBL13553602 0.86 PAK1 (0.81) PAK1PKN1PAK4PAK3PAK2
SCHEMBL13553470 0.86 PAK1 (0.81) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15035990 0.85 PAK1 (0.66) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15281586 0.85 PAK1 (0.72) PAK1PKN1PAK4PAK3PAK2
SCHEMBL1680969 0.85 PAK1 (0.85) PAK1PKN1PAK4PAK3PAK2
SCHEMBL9987954 0.84 PAK1 (0.81) PAK1PKN1PAK4PAK3PAK2
SCHEMBL13553471 0.84 PAK1 (0.78) PAK1PKN1PAK4PAK3PAK2

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-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 PAK1 6/4885PKN1 534/4885PAK4 5/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK1 4/4885PKN1 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.