SCHEMBL7975958

SCHEMBL7975958

COc1ccccc1-c1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
CDK2 P24941 6/20 0.40
CDK4 P11802 5/20 0.40
CCNA2 P20248 5/20 0.40
CCND1 P24385 5/20 0.40
CCND3 P30281 5/20 0.40
CHEK1 O14757 2/20 0.40
KDR P35968 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PRKCZ Q05513 1/20 0.40
AMY1A P0DUB6 4/20 0.39
BRD4 O60885 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38

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
SCHEMBL7973528 0.87 CHEK2 (0.42) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL7972344 0.87 SMN1; SMN2 (0.41) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL7970044 0.87 SCD (0.43) PDE10AHCRTR1HCRTR2DHODHHDAC6
SCHEMBL7969284 0.87 CARM1 (0.39) PDE10ACDK2CDK4CCNA2CCND1
SCHEMBL20307723 0.87 PDE10A (0.39) PDE10ACDK2PRKCZAMY1ABRD4
SCHEMBL7972135 0.86 PDE10A (0.37) PDE10ACDK2CDK4CCNA2CCND1
SCHEMBL7971018 0.86 HSD17B10 (0.37) PDE10ABRD4F10
SCHEMBL10139977 0.86 NPC1 (0.40) BRD4
SCHEMBL10139983 0.85 PDE10A (0.40) PDE10ACDK2CDK4CCNA2CCND1
SCHEMBL7970581 0.84 F9 (0.40) BRD4F10HPSEGUSB

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 PDE10A 904/4885CDK2 2344/4885CDK4 3342/4885

“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.