SCHEMBL10195697

SCHEMBL10195697

O=C(NCCCN1CCCC1)c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.51
HTR1A P08908 11/20 0.49
HTR2A P28223 10/20 0.49
DRD2 P14416 10/20 0.49
HTR2C P28335 3/20 0.48
HRH1 P35367 3/20 0.48
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL10194946 0.94 PARP1 (0.48) MAPK8HTR1AHTR2ADRD2MAPT
SCHEMBL10195379 0.90 MAPK8 (0.49) MAPK8HTR1AHTR2ADRD2HTR2C
SCHEMBL10195551 0.88 NAMPT (0.48) MAPK8KMT2ANAMPT
SCHEMBL10194748 0.87 GAA (0.48) MAPK8MAPTKMT2A
SCHEMBL9951721 0.86 SMN1; SMN2 (0.50) MAPK8MAPTKMT2A
SCHEMBL10194750 0.83 MAPK10 (0.55) MAPK8HTR1AHTR2ADRD2HTR2C
SCHEMBL9952297 0.83 ACKR3 (0.56) MAPK8HTR1AHTR2AHTR2CHRH1
SCHEMBL10195023 0.83 KDM4E (0.54) MAPK8MAPT
SCHEMBL10194949 0.82 ACKR3 (0.54) MAPK8MAPTKMT2A
SCHEMBL10195022 0.82 MAPK8 (0.48) MAPK8MAPTRECQL

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 9 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
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-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
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 MAPK8 1091/4885HTR1A 4357/4885HTR2A 4521/4885

“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.