SCHEMBL2292144

SCHEMBL2292144

COC(=O)CC(c1cccnc1)n1cnc2cc(N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 1/20 0.38
PDE4D Q08499 1/20 0.38
NAMPT P43490 1/20 0.37
TNF P01375 1/20 0.37
TP53 P04637 1/20 0.37
LCK P06239 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2295162 0.89 FGFR1 (0.42) KDM4EALDH1A1HSD17B10PPARGPDE4D
SCHEMBL2296336 0.88 ITGB3 (0.41) HSD17B10PPARGPDE4DLCK
SCHEMBL2292942 0.85 TNF (0.41) KCNA5ALDH1A1TNF
SCHEMBL2295709 0.83 TNF (0.40) KDM4EALDH1A1HSD17B10PDE4DTNF
SCHEMBL2294183 0.82 MAPT (0.50) KDM4EALDH1A1HSD17B10TNFTP53
SCHEMBL2294405 0.82 TNF (0.42) KDM4EALDH1A1HSD17B10PDE4DTNF
SCHEMBL2292935 0.78 ALDH1A1 (0.52) KDM4EALDH1A1HSD17B10TNFLCK
SCHEMBL2295784 0.78 HCAR3 (0.44) KDM4EALDH1A1HSD17B10TNFTP53
SCHEMBL3214948 0.78 KCNA5 (0.45) KCNA5KDM4EALDH1A1HSD17B10TP53
SCHEMBL2294254 0.77 CYP2C9 (0.38) ALDH1A1HSD17B10TNFCYP2C19

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-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 KCNA5 840/4885KDM4E 1654/4885ALDH1A1 1381/4885

“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.