SCHEMBL16017181

SCHEMBL16017181

Cc1onc(C(C)C)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
MAPT P10636 2/20 0.45
CRACR2A Q9BSW2 3/20 0.43
EPAS1 Q99814 3/20 0.42
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL14887330 0.89 CRACR2A (0.54) POLBMAPTCRACR2AEPAS1STIM1
SCHEMBL16019794 0.86 CRACR2A (0.43) POLBMAPTCRACR2ASTIM1ORAI1
SCHEMBL16019790 0.86 POLB (0.45) POLBMAPTCRACR2AEPAS1STIM1
SCHEMBL16019796 0.84 CRACR2A (0.43) POLBMAPTCRACR2AEPAS1STIM1
SCHEMBL16019799 0.83 STIM1 (0.43) POLBMAPTCRACR2AEPAS1STIM1
SCHEMBL16017186 0.82 STIM1 (0.42) POLBMAPTCRACR2ASTIM1ORAI1
SCHEMBL16017189 0.82 STIM1 (0.51) POLBCRACR2ASTIM1ORAI1LMNA
SCHEMBL16017209 0.81 RAB9A (0.47) POLBMAPTCRACR2ASTIM1ORAI1
SCHEMBL16017183 0.81 CRACR2A (0.55) MAPTCRACR2ASTIM1ORAI1KDM4E
SCHEMBL16008936 0.81 STIM1 (0.52) POLBMAPTCRACR2ASTIM1ORAI1

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 2 patents. 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
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 POLB 4774/4885MAPT 1478/4885CRACR2A 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.