SCHEMBL10140104

SCHEMBL10140104

[C-]#[N+]c1ccc2[nH]c(-c3c(O)c(-c4ccc(C)cc4)nn3CC(F)(F)F)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
SMPD3 Q9NY59 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
F11 P03951 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
PDPK1 O15530 1/20 0.33
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
KDM1A O60341 2/20 0.32
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NPC1 O15118 1/20 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
SCHEMBL10140107 0.84 NPBWR1 (0.39) NPBWR1CA12CA9SMPD3F9
SCHEMBL7961129 0.83 PTGDR2 (0.40) NPBWR1CA12CA9F9F10
SCHEMBL7971680 0.82 F10 (0.52) F9F10F11CHEK2
SCHEMBL10140118 0.81 F10 (0.42) NPBWR1CA12CA9F9F10
SCHEMBL10140720 0.77 PDPK1 (0.39) CA12CA9SMPD3PDPK1CDK4
SCHEMBL10140703 0.77 CA12 (0.39) CA12CA9PDPK1CDK4CCNA2
SCHEMBL9607770 0.76 F9 (0.57) NPBWR1CA12CA9SMPD3F9
SCHEMBL10140119 0.74 F10 (0.42) F9F10F11
SCHEMBL7972811 0.74 F10 (0.42) F9F10F11CHEK2
SCHEMBL10140741 0.73 KDM4E (0.42) PDPK1KDM4ERAB9ANPC1ALDH1A1

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-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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 (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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 NPBWR1 3598/4885CA12 1599/4885CA9 332/4885

“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.