SCHEMBL10140116

SCHEMBL10140116

Cn1nc(-c2ccc(-n3ccnn3)cc2)c(O)c1-c1nc2cc(CN)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 11/20 0.36
CA9 Q16790 11/20 0.36
CA1 P00915 6/20 0.35
CA2 P00918 5/20 0.35
NOTUM Q6P988 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CHEK1 O14757 1/20 0.33
CDK7 P50613 1/20 0.33
CDK2 P24941 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CCND3 P30281 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 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
SCHEMBL10172729 0.88 PTGDR2 (0.36) PTGDR2KDM4ENPC1ALDH1A1MAPT
SCHEMBL10172731 0.85 CA12 (0.40) CA12CA9CA1CA2PTGDR2
SCHEMBL7973901 0.84 NT5E (0.41) CHEK1PTGDR2KDM4ENPC1ALDH1A1
SCHEMBL10172732 0.84 MAP2K4 (0.38) CA12CA9CDK2PTGDR2CDK4
SCHEMBL7971254 0.83 F9 (0.41) KDM5BCHEK1CDK7CDK2CDK4
SCHEMBL10139924 0.80 PTGDR2 (0.37) PTGDR2
SCHEMBL10140109 0.80 SMN1; SMN2 (0.44) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL7979892 0.78 HPSE (0.47) PTGDR2
SCHEMBL7970550 0.77 F9 (0.46) CA12CA9PTGDR2
SCHEMBL10140113 0.77 NPC1 (0.41) PTGDR2KDM4ENPC1ALDH1A1HPGD

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-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

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 CA12 1599/4885CA9 332/4885CA1 1475/4885

“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.