SCHEMBL10172729

SCHEMBL10172729

Cn1nc(-c2ccc(Cn3ccnn3)cc2)c(O)c1-c1nc2cc(CN)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.36
CYP19A1 P11511 2/20 0.33
HTR1A P08908 1/20 0.33
KLKB1 P03952 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
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRAF P15056 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
SCHEMBL10139924 0.93 PTGDR2 (0.37) PTGDR2
SCHEMBL10172730 0.88 CHEK2 (0.40) PTGDR2KLKB1
SCHEMBL10140116 0.88 CA12 (0.36) PTGDR2KDM4ENPC1ALDH1A1MAPT
SCHEMBL10172731 0.85 CA12 (0.40) PTGDR2KDM4ERAB9A
SCHEMBL7973901 0.84 NT5E (0.41) PTGDR2KDM4ENPC1ALDH1A1MAPT
SCHEMBL10172732 0.84 MAP2K4 (0.38) PTGDR2KDM4ENPC1ALDH1A1MAPT
SCHEMBL10139912 0.83 CHEK2 (0.48)
SCHEMBL10140109 0.78 SMN1; SMN2 (0.44) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL7971481 0.77 HIF1A (0.46) PTGDR2KDM4ENPC1ALDH1A1MAPT
SCHEMBL7970550 0.77 F9 (0.46) PTGDR2

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 4 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-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 PTGDR2 3200/4885CYP19A1 390/4885HTR1A 4188/4885

“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.