SCHEMBL15035868

SCHEMBL15035868

CN(C)CCS(=O)(=O)c1ncsc1Cn1c(=O)c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.35
CCND1 P24385 2/20 0.35
PRKCI P41743 1/20 0.35
BRAF P15056 1/20 0.34
CDK6 Q00534 2/20 0.33
JAK2 O60674 4/20 0.33
BRD4 O60885 4/20 0.33
FGFR1 P11362 3/20 0.33
EGFR P00533 2/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
RIPK2 O43353 3/20 0.32
NOD2 Q9HC29 3/20 0.32
JAK1 P23458 1/20 0.32
BRD2 P25440 1/20 0.32
JAK3 P52333 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
ACVR1 Q04771 2/20 0.32

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
SCHEMBL15034895 0.81 CDK4 (0.36) CDK4CCND1PRKCICDK6FGFR1
SCHEMBL15242121 0.78 PRKCI (0.40) CDK4CCND1PRKCICDK6FGFR1
SCHEMBL15236999 0.78 PRKCI (0.38) CDK4CCND1PRKCICDK6FGFR1
SCHEMBL15035920 0.77 CDK4 (0.37) CDK4CCND1BRAFFGFR1EGFR
SCHEMBL15041196 0.77 PRKCI (0.36) CDK4CCND1PRKCICDK6FGFR1
SCHEMBL15035014 0.77 PRKCI (0.36) CDK4CCND1PRKCICDK6FGFR1
SCHEMBL15041455 0.76 CDK4 (0.36) CDK4CCND1BRAFCDK6FGFR1
SCHEMBL15277129 0.76 JAK2 (0.37) CDK4CCND1PRKCIBRAFCDK6
SCHEMBL15035654 0.76 JAK2 (0.35) CDK4CCND1PRKCIBRAFCDK6
SCHEMBL15277143 0.75 FGFR1 (0.35) CDK4CCND1PRKCICDK6JAK2

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 CDK4 441/4885CCND1 4422/4885PRKCI 642/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885PRKCI 217/4885

“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.