SCHEMBL10196929

SCHEMBL10196929

CN(C)C1CCN(c2ccc3c(c2)c(-c2cn(-c4ccc(C(=O)N5CCOCC5)cc4)nn2)nn3C2CCOCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MAPK7 Q13164 1/20 0.37
PIK3CA P42336 4/20 0.36
MTOR P42345 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3C2B O00750 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
AXL P30530 2/20 0.35
TYRO3 Q06418 2/20 0.35
MERTK Q12866 2/20 0.35
L3MBTL3 Q96JM7 2/20 0.35
EGFR P00533 2/20 0.35
BRAF P15056 3/20 0.35
MCHR1 Q99705 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL15312505 0.90 HRH3 (0.36) CREBBPHRH3MAPK7PIK3CAMTOR
SCHEMBL9958329 0.83 FLT3 (0.47) HRH3
SCHEMBL9952048 0.74 EGFR (0.34) HRH3PIK3CAAXLTYRO3MERTK
SCHEMBL10194746 0.74 PIK3CA (0.38) PIK3CAPIK3CDPIK3CBPIK3CGRAB9A
SCHEMBL10196860 0.73 CNR2 (0.35) HRH3PIK3CAEGFRRAB9A
SCHEMBL10196691 0.70 FLT3 (0.43) PIK3CAMTORPIK3CDPIK3C2BPIK3CB
SCHEMBL10194677 0.69 FLT3 (0.48)
SCHEMBL10194804 0.69 FLT3 (0.46) HRH3L3MBTL3L3MBTL1
SCHEMBL10195552 0.67 ATR (0.46) HRH3L3MBTL3
SCHEMBL9952570 0.67 GRM1 (0.40) RAB9A

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 CREBBP 1288/4885HRH3 533/4885MAPK7 726/4885

“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.