SCHEMBL7970358

SCHEMBL7970358

Cn1nc(-c2ccccc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
TYRO3 Q06418 1/20 0.39
NTRK2 Q16620 1/20 0.39
BRAF P15056 2/20 0.37
AURKA O14965 1/20 0.37
KDR P35968 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
FYN P06241 1/20 0.36
F9 P00740 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
GSK3B P49841 1/20 0.35
BRD4 O60885 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34

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
SCHEMBL7970459 0.85 KDM4E (0.40) KDRKDM4EF9CA12CA9
SCHEMBL7971018 0.83 HSD17B10 (0.37) KDM4EF9CA12CA9BRD4
SCHEMBL7972135 0.82 PDE10A (0.37) F9CA12CA9NPC1RAB9A
SCHEMBL7978390 0.80 F9 (0.39) BRAFAURKAKDRPIM1PIM2
SCHEMBL7970842 0.77 NPC1 (0.55) KDRKDM4ECA12CA9NPC1
SCHEMBL10139808 0.77 P2RY6 (0.53) KDM4EF9CA12CA9NPC1
SCHEMBL7976170 0.77 ITK (0.48) CLK4DYRK1BKDRKDM4EF9
SCHEMBL7969389 0.76 NPC1 (0.41) KDM4ENPC1RAB9A
SCHEMBL7971012 0.76 PTGDR2 (0.39) CA12CA9GSK3B
SCHEMBL10140046 0.76 KDM4E (0.43) KDM4ENPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
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
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 CLK4 4548/4885DYRK1B 4368/4885TYRO3 1695/4885

“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.