SCHEMBL16661963

SCHEMBL16661963

Cn1nc(-c2cc(CF)n(-c3ccc(NCc4c(F)cccc4Cl)cn3)n2)oc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 6/20 0.37
GAA P10253 3/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 4/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
MPI P34949 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.35
TNF P01375 1/20 0.34
STIM1 Q13586 1/20 0.34

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
SCHEMBL16650134 0.94 IL2 (0.37) IL2TNFSTIM1ORAI1
SCHEMBL16651390 0.88 IL2 (0.38) IL2MAPTALDH1A1GAAALOX15
SCHEMBL15530178 0.84 IL2 (0.40) IL2TNFSTIM1ORAI1
SCHEMBL30096543 0.84 IL2 (0.40) IL2TNFSTIM1ORAI1
SCHEMBL15529099 0.82 EPHX2 (0.39) IL2MAPTKMT2ATNFSTIM1
SCHEMBL15529590 0.82 IL2 (0.36) IL2ALDH1A1GAAALOX15HSD17B10
SCHEMBL30096535 0.82 IL2 (0.36) IL2ALDH1A1GAAALOX15HSD17B10
SCHEMBL16661907 0.82 RXFP1 (0.36) MAPTALDH1A1GAAALOX15HSD17B10
SCHEMBL16661953 0.79 BRD4 (0.34) GAATP53STIM1ORAI1
SCHEMBL16660122 0.77 IL2 (0.40) IL2GAAKDM4ETP53RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US 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 (2 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-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 IL2 2916/4885MAPT 2296/4885ALDH1A1 2095/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 IL2 2916/4885MAPT 2296/4885ALDH1A1 2095/4885

“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.