SCHEMBL15041355

SCHEMBL15041355

COCC[S+]([O-])c1ccccc1Cn1c(=O)c(C(=O)C(C)C)cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.41
JAK3 P52333 13/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CCND2 P30279 2/20 0.37
CCND3 P30281 2/20 0.37
RIPK2 O43353 2/20 0.36
ACVR1 Q04771 2/20 0.36
NOD2 Q9HC29 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
ALK Q9UM73 1/20 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
SCHEMBL15280131 0.94 CAMK2D (0.40) CAMK2DJAK3CDK4CCND1CCND2
SCHEMBL15035638 0.93 CAMK2D (0.39) CAMK2DJAK3CDK4CCND1CCND2
SCHEMBL15034871 0.82 CAMK2D (0.41) CAMK2DJAK3CDK4CCND1RIPK2
SCHEMBL15041427 0.80 CAMK2D (0.41) CAMK2DJAK3CDK4CCND1CCND2
SCHEMBL15041409 0.80 CAMK2D (0.37) CAMK2DJAK3CDK4CCND1CCND2
SCHEMBL15041825 0.79 JAK3 (0.38) CAMK2DJAK3CDK4CCND1CCND2
SCHEMBL15035859 0.79 CAMK2D (0.39) CAMK2DJAK3CDK4CCND1CCND2
SCHEMBL15041181 0.79 CAMK2D (0.41) CAMK2DJAK3CDK4CCND1CCND2
SCHEMBL15041761 0.78 CAMK2D (0.41) CAMK2DJAK3CDK4CCND1CCND2
SCHEMBL15041631 0.78 CAMK2D (0.39) CAMK2DJAK3CDK4CCND1CCNA2

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 2 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-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 CAMK2D 146/4885JAK3 525/4885CDK4 441/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CAMK2D 469/4885JAK3 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.