SCHEMBL10140052

SCHEMBL10140052

CN1CCN(c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.36
TOP2A P11388 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KRAS P01116 1/20 0.34
GSK3B P49841 1/20 0.33
BRD4 O60885 4/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
ATR Q13535 1/20 0.31
FGFR1 P11362 3/20 0.31
PDGFRB P09619 2/20 0.31

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
SCHEMBL7972871 0.88 TOP1 (0.36) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10140048 0.87 F10 (0.38) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7971008 0.86 TNKS (0.45) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10140047 0.86 F10 (0.40) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10140050 0.85 F10 (0.41) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7966289 0.85 F10 (0.39) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL12758112 0.85 TOP1 (0.36) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7970581 0.84 F9 (0.40) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7971397 0.83 ALDH1A1 (0.39) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7969389 0.83 NPC1 (0.41) ALDH1A1SMN1; SMN2HSD17B10CCNA2CDK2

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 TOP1 4007/4885TOP2A 3805/4885ALDH1A1 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.