SCHEMBL10194703

SCHEMBL10194703

O=C(NCc1cccc(O)c1)c1ccc2[nH]nc(-c3cn(-c4ccc(CN5CCOCC5)cc4)nn3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 4/20 0.46
MAPK3 P27361 3/20 0.46
FLT3 P36888 9/20 0.43
MLLT1 Q03111 1/20 0.43
CHEK1 O14757 1/20 0.42
CDK7 P50613 1/20 0.42
CHRM3 P20309 1/20 0.41
MAPK14 Q16539 1/20 0.41
TTK P33981 1/20 0.41

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
SCHEMBL9952325 0.84 CHEK1 (0.46) FLT3CHEK1CDK7
SCHEMBL10195051 0.83 MAPK10 (0.49) FLT3
SCHEMBL15317779 0.83 FLT3 (0.51) FLT3CHEK1CDK7
SCHEMBL10194787 0.83 CHEK1 (0.57) MAPK1FLT3CHEK1CDK7
SCHEMBL10194719 0.81 FLT3 (0.51) FLT3CHEK1CDK7
SCHEMBL9952109 0.81 FLT3 (0.49) FLT3CHEK1CDK7
SCHEMBL10194970 0.79 JAK2 (0.47) FLT3
SCHEMBL27945246 0.79 JAK2 (0.45) FLT3CHEK1CDK7
SCHEMBL10194971 0.79 FLT3 (0.55) FLT3
SCHEMBL10194895 0.79 JAK2 (0.48) CHEK1CDK7

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-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 ALDH1A1 875/4885MAPK1 1717/4885MAPK3 1106/4885

“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.