SCHEMBL10140109

SCHEMBL10140109

CC(=O)Nc1ccc(-c2nn(C)c(-c3nc4cc(CN)ccc4[nH]3)c2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
TP53 P04637 4/20 0.43
HPGD P15428 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 3/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 1/20 0.41
HPSE Q9Y251 3/20 0.41
GAA P10253 1/20 0.39
DHODH Q02127 2/20 0.39
PARP1 P09874 1/20 0.38
KDR P35968 1/20 0.38
TSSK1B Q9BXA7 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
SCHEMBL7971532 0.93 ALDH1A1 (0.50) SMN1; SMN2PKMKDM4EALDH1A1TP53
SCHEMBL7979892 0.90 HPSE (0.47) HPSEDDX3X
SCHEMBL10172731 0.86 CA12 (0.40) KDM4ERAB9AKDR
SCHEMBL7973901 0.85 NT5E (0.41) SMN1; SMN2PKMKDM4EALDH1A1TP53
SCHEMBL10172732 0.85 MAP2K4 (0.38) SMN1; SMN2PKMKDM4EALDH1A1HPGD
SCHEMBL10140113 0.84 NPC1 (0.41) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL16258911 0.83 BAZ1A (0.43) SMN1; SMN2KDM4EALDH1A1TP53HPGD
SCHEMBL10172625 0.83 MMP2 (0.45) SMN1; SMN2KDM4EALDH1A1TP53HPGD
SCHEMBL7973898 0.82 ALDH1A1 (0.44) SMN1; SMN2PKMKDM4EALDH1A1TP53
SCHEMBL10172658 0.82 CHEK2 (0.46)

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 SMN1; SMN2 3004/4885PKM 3158/4885KDM4E 1387/4885

“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.