SCHEMBL16020157

SCHEMBL16020157

Cc1nn(C)cc1-c1cc(F)c(NC(=O)c2ccncc2F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.49
NAMPT P43490 1/20 0.46
CSNK1D P48730 3/20 0.45
CSNK1E P49674 3/20 0.45
PIM2 Q9P1W9 1/20 0.45
ATM Q13315 1/20 0.41
MCL1 Q07820 1/20 0.41
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
TRPC1 P48995 1/20 0.41
TRPC3 Q13507 1/20 0.41
CRACR2A Q9BSW2 3/20 0.40
ABL1 P00519 1/20 0.38
SSTR2 P30874 1/20 0.38
NTRK1 P04629 1/20 0.38
ABCB1 P08183 2/20 0.38
ABCC1 P33527 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL16017238 0.85 ATM (0.49) CSNK1DCSNK1EATM
SCHEMBL16020156 0.85 ATR (0.47) ATRNAMPTPIM2ATMSTIM1
SCHEMBL14887516 0.85 NAMPT (0.51) ATRNAMPTCSNK1DCSNK1EPIM2
SCHEMBL16019791 0.85 ATR (0.49) ATRNAMPTCSNK1DCSNK1EPIM2
SCHEMBL16017263 0.83 ATM (0.47) ATRATM
SCHEMBL16017254 0.82 LMNA (0.47) ATMLMNA
SCHEMBL14887595 0.81 ATR (0.45) ATRATMSTIM1ORAI1
SCHEMBL14887593 0.78 ATR (0.43) ATRATMSTIM1ORAI1LMNA
SCHEMBL1134835 0.72 ATM (0.61) ATRNAMPTATMSSTR2NTRK1
SCHEMBL29445412 0.72 ATM (0.61) ATRNAMPTATMSSTR2NTRK1

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 4430/4885NAMPT 2538/4885CSNK1D 1332/4885

“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.