SCHEMBL16019772

SCHEMBL16019772

Cc1scnc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 9/20 0.48
GRM4 Q14833 5/20 0.48
CRACR2A Q9BSW2 4/20 0.45
STIM1 Q13586 2/20 0.43
ORAI1 Q96D31 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NAMPT P43490 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL14887328 0.86 CRACR2A (0.60) CRACR2ASTIM1ORAI1HDAC3HDAC4
SCHEMBL16017227 0.83 KDM4E (0.44) CRACR2ASTIM1ORAI1HDAC3HDAC4
SCHEMBL16019773 0.83 GRM1 (0.48) GRM1GRM4CRACR2ASTIM1ORAI1
SCHEMBL16019788 0.82 DGAT1 (0.44) STIM1ORAI1HDAC3HDAC4HDAC1
SCHEMBL16017189 0.81 STIM1 (0.51) CRACR2ASTIM1ORAI1HDAC3HDAC4
SCHEMBL16019799 0.81 STIM1 (0.43) CRACR2ASTIM1ORAI1HDAC3HDAC4
SCHEMBL16017182 0.81 BACE1 (0.44) CRACR2ASTIM1ORAI1HDAC3HDAC4
SCHEMBL16017419 0.80 ALDH1A1 (0.50) CRACR2ASTIM1ORAI1HDAC3HDAC4
SCHEMBL16017183 0.80 CRACR2A (0.55) CRACR2ASTIM1ORAI1HDAC3HDAC4
SCHEMBL16008936 0.80 STIM1 (0.52) CRACR2ASTIM1ORAI1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GRM1 1425/4885GRM4 1253/4885CRACR2A 183/4885

“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.