SCHEMBL10140097

SCHEMBL10140097

COc1c(-c2ccccc2)nn(C)c1-c1nc2cc(F)c(C(N)=O)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.41
CHEK2 O96017 7/20 0.40
PARP1 P09874 4/20 0.40
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRD4 O60885 1/20 0.37
POLB P06746 1/20 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
SCHEMBL7973326 0.87 CHEK2 (0.42) DHODHCHEK2PARP1BRD4POLB
SCHEMBL7970762 0.85 AMY1A (0.44) TP53MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7966206 0.83 CHEK2 (0.61) CHEK2
SCHEMBL10172619 0.81 DHODH (0.39) DHODHCHEK2TP53MAPTKDM4E
SCHEMBL10140093 0.81 TP53 (0.38) TP53MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7961586 0.79 CHEK2 (0.53) CHEK2KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL10140405 0.79 CHEK2 (0.48) CHEK2TP53MAPTKDM4EALDH1A1
SCHEMBL7960793 0.78 KDM4E (0.52) CHEK2TP53MAPTKDM4EALDH1A1
SCHEMBL7982191 0.78 P2RY6 (0.51) TP53MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7959879 0.77 KDM4E (0.40) TP53MAPTKDM4EALDH1A1SMN1; SMN2

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 DHODH 538/4885CHEK2 4794/4885PARP1 3367/4885

“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.