SCHEMBL10194696

SCHEMBL10194696

c1ccc2c(-c3cn(-c4ccc(CN5CC6CCC(C5)O6)cc4)nn3)n[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.41
ROCK2 O75116 2/20 0.41
MAP4K4 O95819 2/20 0.41
PIM1 P11309 2/20 0.41
CDK2 P24941 2/20 0.41
HIPK2 Q9H2X6 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
S1PR1 P21453 14/20 0.41
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
GRM4 Q14833 1/20 0.38
PLK4 O00444 1/20 0.37
ACHE P22303 1/20 0.37
PRKACA P17612 1/20 0.37
GSK3B P49841 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL10194689 0.88 S1PR1 (0.38) S1PR1FGFR1FLT1PLK4
SCHEMBL10194934 0.88 S1PR1 (0.40) S1PR1PLK4
SCHEMBL10194970 0.83 JAK2 (0.47) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL10194977 0.83 FGFR1 (0.45) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL17836534 0.80 BRAF (0.40) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL15312581 0.80 BRAF (0.40) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL15317808 0.80 CDC7 (0.38) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL10194774 0.79 FGFR1 (0.45) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL17850455 0.78 GRM4 (0.46) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL10194704 0.78 GRM4 (0.46) CDC7ROCK2MAP4K4PIM1CDK2

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 CDC7 1831/4885ROCK2 1273/4885MAP4K4 1545/4885

“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.