SCHEMBL16020156

SCHEMBL16020156

Cc1nn(C)cc1-c1cc(F)c(NC(=O)c2c(F)cncc2F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.47
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
SSTR2 P30874 1/20 0.38
ATM Q13315 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP30 Q70CQ3 1/20 0.36
NAMPT P43490 1/20 0.36
LMNA P02545 1/20 0.36
S1PR2 O95136 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
XDH P47989 1/20 0.35

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
SCHEMBL14887595 0.88 ATR (0.45) ATRSTIM1ORAI1ATML3MBTL1
SCHEMBL16020157 0.85 ATR (0.49) ATRSTIM1ORAI1SSTR2ATM
SCHEMBL16020154 0.85 BRD4 (0.44) STIM1ORAI1LMNACYP1A2CYP3A4
SCHEMBL14887593 0.83 ATR (0.43) ATRSTIM1ORAI1ATML3MBTL1
SCHEMBL16019816 0.83 MAOA (0.44) ATRSTIM1ORAI1NAMPTCYP1A2
SCHEMBL14887515 0.83 ATR (0.48) ATRSTIM1ORAI1SSTR2ATM
SCHEMBL16020155 0.82 BRD4 (0.41) ATRSTIM1ORAI1LMNAS1PR2
SCHEMBL16017238 0.81 ATM (0.49) ATML3MBTL1
SCHEMBL16017263 0.80 ATM (0.47) ATRATML3MBTL1
SCHEMBL16017254 0.78 LMNA (0.47) ATMLMNACYP1A2CYP2C19

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 ATR 4430/4885STIM1 17/4885ORAI1 1/4885

“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.