SCHEMBL10140918

SCHEMBL10140918

[C-]#[N+]c1ccc2[nH]c(-c3c(O)c(-c4ccc(N5CCCCC5=O)cc4)nn3C)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.37
TNIK Q9UKE5 2/20 0.37
BRD9 Q9H8M2 1/20 0.34
GALR3 O60755 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
GRK6 P43250 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
SYK P43405 2/20 0.32
CDK2 P24941 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
SCHEMBL10173105 0.85 HTR1A (0.41) F10TNIKBRD9CCNCCDK8
SCHEMBL10140917 0.84 F10 (0.41) F10TNIKPRSS1
SCHEMBL10140047 0.83 F10 (0.40) F10TNIKBRD9GALR3LMNA
SCHEMBL7966289 0.82 F10 (0.39) F10TNIKBRD9GALR3LMNA
SCHEMBL10140048 0.80 F10 (0.38) F10TNIKGALR3LMNATSHR
SCHEMBL10140720 0.80 PDPK1 (0.39) HTTCDK2
SCHEMBL10140703 0.80 CA12 (0.39) CDK2
SCHEMBL10140058 0.79 F10 (0.49) F10PRSS1
SCHEMBL10140741 0.76 KDM4E (0.42) HTT
SCHEMBL10140767 0.75 NPC1 (0.43) CDK2

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 F10 11/4885TNIK 2238/4885BRD9 1944/4885

“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.