SCHEMBL16017176

SCHEMBL16017176

Cn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CRACR2A Q9BSW2 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL16017420 0.86 MAPT (0.52) STIM1ORAI1MAPTMAPK1ALDH1A1
SCHEMBL29420773 0.86 MAPT (0.52) STIM1ORAI1MAPTMAPK1ALDH1A1
SCHEMBL25976752 0.86 POLB (0.48) STIM1ORAI1MAPTHDAC3HDAC4
SCHEMBL16017250 0.85 RAF1 (0.42) STIM1ORAI1MAPTMAPK1HDAC3
SCHEMBL16019779 0.84 ALDH1A1 (0.45) STIM1ORAI1MAPTMAPK1HDAC3
SCHEMBL16019774 0.84 ALDH1A1 (0.50) STIM1ORAI1MAPTHDAC3HDAC4
SCHEMBL16017243 0.83 ALDH1A1 (0.42) STIM1ORAI1MAPTMAPK1HDAC3
SCHEMBL14887389 0.82 BACE1 (0.45) STIM1ORAI1MAPTMAPK1HDAC3
SCHEMBL16017183 0.81 CRACR2A (0.55) STIM1ORAI1MAPTHDAC3HDAC4
SCHEMBL16008936 0.81 STIM1 (0.52) STIM1ORAI1MAPTHDAC3HDAC4

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-11752148-B2 Pyrazine-containing compound CALCIMEDICA, INC. (US) 2023-09-12 US disclosed
US-20230226058-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE KIDNEY INJURY AVENUE CAPITAL MANAGEMENT II, L.P. 2023-07-20 US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 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 (3 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-11752148-B2 Pyrazine-containing compound NFATC1, IAPP, NLRP3 STIM1 211/4885ORAI1 5/4885MAPT 3453/4885
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885MAPT 1478/4885
US-20230226058-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE KIDNEY INJURY CAMKK2, CAMKK1, ATF1 STIM1 451/4885ORAI1 76/4885MAPT 4289/4885

“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.