SCHEMBL7969284

SCHEMBL7969284

COc1ncccc1-c1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.39
DHODH Q02127 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
CBFB Q13951 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PDE10A Q9Y233 1/20 0.34
NAAA Q02083 1/20 0.34
TBK1 Q9UHD2 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33

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
SCHEMBL20307843 0.89 NPC1 (0.34) CBFBPDE10AKDM4ENPC1ALDH1A1
SCHEMBL7969281 0.87 BRD9 (0.38) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL7975958 0.87 PDE10A (0.40) DHODHPDE10AHDAC6CDK4CCNA2
SCHEMBL10139977 0.84 NPC1 (0.40) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7960814 0.83 NPC1 (0.39) PDE10AKDM4ENPC1ALDH1A1RAB9A
SCHEMBL7972344 0.83 SMN1; SMN2 (0.41) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL7970044 0.83 SCD (0.43) DHODHPDE10AHDAC6NPC1ALDH1A1
SCHEMBL7973528 0.83 CHEK2 (0.42) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL7972135 0.82 PDE10A (0.37) PDE10ACDK4CCNA2CCND1CDK2
SCHEMBL7970581 0.82 F9 (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
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 CARM1 4143/4885DHODH 538/4885LOXL2 1773/4885

“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.