SCHEMBL16644138

SCHEMBL16644138

Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(N)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.42
FEN1 P39748 6/20 0.40
RXRA P19793 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
ABL1 P00519 1/20 0.39
AOC3 Q16853 1/20 0.38
PIK3CD O00329 2/20 0.36
MTOR P42345 2/20 0.36
PIK3CA P42336 1/20 0.36
ALOX5AP P20292 4/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
ALK Q9UM73 1/20 0.36
TNIK Q9UKE5 1/20 0.35
CFTR P13569 2/20 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
SCHEMBL16644130 0.86 ADORA1 (0.44) TDO2FEN1ALOX5AP
SCHEMBL16644119 0.82 PIK3CD (0.44) TDO2FEN1AOC3PIK3CDALOX5AP
SCHEMBL16636674 0.75 IL2 (0.49) ABL1
SCHEMBL20936832 0.72 ALDH1A1 (0.44) PIK3CDMTORPIK3CAALK
SCHEMBL16644171 0.72 KDM4E (0.38) PIK3CDMTORPIK3CA
SCHEMBL16644153 0.71 GRIN2B (0.40) RXRAGRIN1GRIN2B
SCHEMBL16644112 0.71 KDM4E (0.34) PIK3CDMTOR
SCHEMBL4502041 0.70 EIF2AK3 (0.55) TDO2FEN1ABL1PIK3CDMTOR
SCHEMBL4504756 0.70 ABL1 (0.68) TDO2FEN1ABL1ALOX5APEIF2AK3
SCHEMBL4513696 0.70 FEN1 (0.65) TDO2FEN1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 WO 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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TDO2 4550/4885FEN1 4618/4885RXRA 3701/4885

“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.