SCHEMBL7973901

SCHEMBL7973901

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.41
MAPT P10636 8/20 0.40
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
NPC1 O15118 7/20 0.40
KDM4E B2RXH2 6/20 0.40
RAB9A P51151 6/20 0.40
HPGD P15428 5/20 0.40
POLB P06746 4/20 0.40
GFER P55789 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
GLA P06280 3/20 0.37
RXFP1 Q9HBX9 3/20 0.37
RECQL P46063 2/20 0.37
GAA P10253 2/20 0.37
PKM P14618 4/20 0.36
NFKB1 P19838 2/20 0.36

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
SCHEMBL10172731 0.93 CA12 (0.40) KDM4ERAB9APTGDR2NPBWR1
SCHEMBL10172732 0.92 MAP2K4 (0.38) MAPTALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL10140109 0.85 SMN1; SMN2 (0.44) MAPTALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL7970550 0.84 F9 (0.46) NT5EPTGDR2NPBWR1
SCHEMBL10140116 0.84 CA12 (0.36) MAPTALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL10140113 0.84 NPC1 (0.41) ALDH1A1SMN1; SMN2NPC1KDM4ERAB9A
SCHEMBL10172729 0.84 PTGDR2 (0.36) MAPTALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL10172658 0.84 CHEK2 (0.46) CHEK1
SCHEMBL7979892 0.83 HPSE (0.47) PTGDR2MMP2MMP9MMP8MMP13
SCHEMBL7969006 0.83 NPBWR1 (0.42) NT5EPTGDR2NPBWR1

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 NT5E 2150/4885MAPT 4510/4885ALDH1A1 1022/4885

“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.