SCHEMBL15041336

SCHEMBL15041336

CCS(=O)(=O)c1ccccc1Cn1c(=O)c(C#N)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.59
CCND1 P24385 5/20 0.59
FGFR1 P11362 2/20 0.59
PIK3CD O00329 1/20 0.59
PRKAB2 O43741 1/20 0.59
NUAK1 O60285 1/20 0.59
CCNT1 O60563 1/20 0.59
ABL1 P00519 1/20 0.59
FYN P06241 1/20 0.59
CDK1 P06493 1/20 0.59
CSF1R P07333 1/20 0.59
RET P07949 1/20 0.59
PDGFRB P09619 1/20 0.59
CCNB1 P14635 1/20 0.59
CCNA2 P20248 1/20 0.59
CCNE1 P24864 1/20 0.59
CDK2 P24941 1/20 0.59
MARK3 P27448 1/20 0.59
FLT3 P36888 1/20 0.59
CDK7 P50613 1/20 0.59

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
SCHEMBL15036205 0.93 WEE1 (0.52) CDK4CCND1FGFR1PIK3CDPRKAB2
SCHEMBL15035632 0.93 WEE1 (0.54) CDK4CCND1FGFR1PIK3CDPRKAB2
SCHEMBL9988331 0.89 WEE1 (0.54) CDK4CCND1FGFR1WEE1CCND2
SCHEMBL9988749 0.87 WEE1 (0.59) CDK4CCND1FGFR1WEE1CCND2
SCHEMBL29508922 0.86 CDK4 (0.66) CDK4CCND1FGFR1PIK3CDPRKAB2
SCHEMBL22860479 0.86 CDK4 (0.66) CDK4CCND1FGFR1PIK3CDPRKAB2
SCHEMBL15036178 0.85 CDK4 (0.59) CDK4CCND1FGFR1PIK3CDPRKAB2
SCHEMBL15035629 0.85 WEE1 (0.57) CDK4CCND1FGFR1WEE1CCND2
SCHEMBL15035634 0.85 WEE1 (0.65) CDK4CCND1FGFR1PDGFRBWEE1
SCHEMBL15041372 0.85 WEE1 (0.57) CDK4CCND1FGFR1WEE1CCND2

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 CDK4 441/4885CCND1 4422/4885FGFR1 2209/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885FGFR1 1919/4885

“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.