SCHEMBL10195031

SCHEMBL10195031

O=C(NC1CC1)c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.52
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMYD3 Q9H7B4 2/20 0.44
MAPT P10636 1/20 0.44
MAPK8 P45983 4/20 0.43
FLT3 P36888 3/20 0.42
MAP2K4 P45985 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
MAP3K5 Q99683 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL9952279 0.93 DYRK1A (0.48) CHEK1RAB9ANPC1MAPK8FLT3
SCHEMBL10194751 0.85 ITK (0.52) MAPK8FLT3MAP2K4
SCHEMBL10195025 0.85 FLT3 (0.51) MAPK8FLT3MAP2K4
SCHEMBL10194778 0.84 DGAT2 (0.43) CHEK1MAPK8FLT3
SCHEMBL9951937 0.82 MAP2K4 (0.61) MAP2K4MAPK10
SCHEMBL10195022 0.82 MAPK8 (0.48) MAPTMAPK8FLT3MAP2K4
SCHEMBL27945220 0.82 MAP2K4 (0.47) CHEK1MAPK8MAP2K4MAPK10
SCHEMBL10195023 0.81 KDM4E (0.54) MAPTMAPK8MAPK10MAP3K5SMN1; SMN2
SCHEMBL10194952 0.81 HPGD (0.52) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL9952297 0.81 ACKR3 (0.56) RAB9ANPC1MAPK8FLT3

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 7 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-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 CHEK1 3060/4885RAB9A 2407/4885NPC1 826/4885

“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.