SCHEMBL9953020

SCHEMBL9953020

Cc1nccn1CC1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
BRD4 O60885 4/20 0.40
KDM4E B2RXH2 1/20 0.39
MERTK Q12866 3/20 0.38
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
AXL P30530 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ATAD2 Q6PL18 1/20 0.37
SYK P43405 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL23204986 0.91 BRD4 (0.47) PIM1BRD4KDM4EALDH1A1POLB
SCHEMBL1181466 0.81 BRD4 (0.55) PIM1BRD4KDM4EALDH1A1POLB
SCHEMBL28192282 0.81 KDM4E (0.50) PIM1BRD4KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL28784813 0.80 BRD4 (0.54) PIM1BRD4KDM4EALDH1A1POLB
SCHEMBL16419181 0.79 ALDH1A1 (0.48) PIM1BRD4KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL29953510 0.78 BRD4 (0.37) BRD4MERTKHRH4HRH3AXL
SCHEMBL18462318 0.76 CHRNB2 (0.43) PIM1KDM4EMERTKALDH1A1POLB
SCHEMBL2237220 0.73 KMT2A (0.47) PIM1BRD4KDM4EALDH1A1POLB
SCHEMBL23204979 0.72 BRD4 (0.54) PIM1BRD4KDM4EALDH1A1POLB
SCHEMBL13681766 0.72 HRH3 (0.39) BRD4MERTKHRH4HRH3AXL

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 5 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
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 EP 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 PIM1 2114/4885BRD4 460/4885KDM4E 3415/4885

“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.