SCHEMBL5115244

SCHEMBL5115244

CSc1nc(C)c2ccc(=O)n(C3CCCCCC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
CDK4 P11802 8/20 0.40
CCND1 P24385 8/20 0.40
CCND2 P30279 5/20 0.40
CCND3 P30281 5/20 0.40
CDK2 P24941 5/20 0.38
PIK3CA P42336 5/20 0.38
CCNE1 P24864 4/20 0.38
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
CDK6 Q00534 3/20 0.38
CCNA2 P20248 2/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38

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
SCHEMBL4220929 0.99 MEN1 (0.41) MEN1KMT2AATMGAAALOX15
SCHEMBL3341928 0.83 PIK3CA (0.47) CDK4CCND1CCND3PIK3CACDK6
SCHEMBL8210294 0.82 PIK3CA (0.55) PIK3CA
SCHEMBL1064226 0.79 HSP90AB1 (0.42) MEN1KMT2AATMCDK4CCND1
SCHEMBL4828470 0.78 CCND1 (0.57) CDK4CCND1CCND2CCND3CDK2
SCHEMBL3340869 0.78 CCND1 (0.44) GAAALOX15CDK4CCND1CCND2
SCHEMBL5263603 0.78 CCND1 (0.57) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5115426 0.78 GAA (0.39) MEN1KMT2AGAAALOX15CDK4
SCHEMBL5119795 0.78 PIK3CA (0.47) PIK3CACCNT1CDK9
SCHEMBL1984784 0.78 PIK3CA (0.58) PIK3CA

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-20080255162-A1 Pyrrolyl Substituted Pyrido[2,3-D]Pyrimidin-7-Ones and Derivatives Thereof as Therapeutic Agents WARNER-LAMBERT COMPANY LLC 2008-10-16 US disclosed
EP-1749004-B1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-09-19 EP disclosed
EP-1749004-A1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2007-02-07 EP disclosed
WO-2005105801-A1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO 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 (1 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-20080255162-A1 Pyrrolyl Substituted Pyrido[2,3-D]Pyrimidin-7-Ones and Derivatives Thereof as Therapeutic Agents TYMS, DPYD, TYMP MEN1 2335/4885KMT2A 3726/4885ATM 3243/4885

“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.