SCHEMBL10140727

SCHEMBL10140727

COc1c(-c2ccc(-c3cccnc3)cc2)nn(C)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
ABCB1 P08183 4/20 0.42
ABCC1 P33527 3/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
MAPK1 P28482 1/20 0.41
KMO O15229 1/20 0.41
NR4A2 P43354 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP17A1 P05093 1/20 0.39
DHODH Q02127 1/20 0.39

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
SCHEMBL10140710 0.88 TP53 (0.46) ALDH1A1L3MBTL1MEN1KMT2ADHODH
SCHEMBL10140393 0.86 TP53 (0.48) ALDH1A1L3MBTL1MEN1KMT2ADHODH
SCHEMBL10140871 0.80 MAPT (0.39) KMOALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10140698 0.79 PTGDR2 (0.39) KMOALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10140385 0.76 CSF1R (0.49) ALDH1A1MEN1KMT2A
SCHEMBL10140760 0.75 KMO (0.41) KMOALDH1A1MEN1KMT2A
SCHEMBL10172626 0.71 CYP1A2 (0.52) MAPK1ALDH1A1MEN1KMT2A
SCHEMBL10172739 0.70 BRD4 (0.48) ALDH1A1DHODH
SCHEMBL10140868 0.70 TUBB4A (0.39) MKNK2PIM2
SCHEMBL31617653 0.70 CYP2A6 (0.44) MKNK1MKNK2ALDH1A1CYP19A1CYP11B1

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 MKNK1 4067/4885MKNK2 4224/4885ABCB1 1062/4885

“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.