SCHEMBL10194973

SCHEMBL10194973

c1ccc2c(-c3cn(-c4ccc(N5CCNCC5)cc4)nn3)n[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.46
FGFR2 P21802 2/20 0.46
FLT1 P17948 2/20 0.46
GRM4 Q14833 1/20 0.44
ITK Q08881 1/20 0.44
LRRK2 Q5S007 3/20 0.44
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
FLT3 P36888 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 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
SCHEMBL10195395 0.83 P2RY14 (0.46) GRM4LRRK2SIGMAR1MAPK8MAPK9
SCHEMBL18931153 0.82 FGFR1 (0.64) FGFR1FGFR2FLT1GRM4ITK
Hydrochloric Acid SCHEMBL9959222 0.82 P2RY14 (0.46) GRM4LRRK2SIGMAR1MAPK8MAPK9
SCHEMBL10195754 0.81 GRM4 (0.49) FGFR1FLT1GRM4ITKLRRK2
SCHEMBL10194817 0.80 IRAK4 (0.43) FGFR1FLT1GRM4LRRK2MAPK8
Ammonia Solution, Strong SCHEMBL27926209 0.80 FLT3 (0.56) GRM4ITKLRRK2IRAK4FLT3
SCHEMBL10194878 0.79 P2RY14 (0.44) GRM4SIGMAR1MAPK8MAPK9IRAK4
SCHEMBL25027549 0.79 LRRK2 (0.50) FGFR1FGFR2FLT1ITKLRRK2
SCHEMBL29361522 0.79 LRRK2 (0.50) FGFR1FGFR2FLT1ITKLRRK2
Hydrochloric Acid SCHEMBL28806324 0.79 FLT3 (0.54) GRM4ITKLRRK2IRAK4FLT3

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 FGFR1 3392/4885FGFR2 3067/4885FLT1 1926/4885

“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.