SCHEMBL10201299

SCHEMBL10201299

Cc1cccnc1C(=O)Nc1cnc(-c2cc(-c3ccccc3F)nn2C)s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 8/20 0.54
ORAI1 Q96D31 8/20 0.54
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ATR Q13535 1/20 0.38
KIT P10721 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
GRM1 Q13255 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL10262336 0.88 STIM1 (0.62) STIM1ORAI1MAPTPOLB
SCHEMBL10201296 0.85 STIM1 (0.71) STIM1ORAI1MAPTPOLBTP53
SCHEMBL10201293 0.85 STIM1 (0.57) STIM1ORAI1MAPTTP53
SCHEMBL10201308 0.83 STIM1 (0.52) STIM1ORAI1KITMAPTGRM1
SCHEMBL16900159 0.83 STIM1 (0.55) STIM1ORAI1ATRMAPTTP53
SCHEMBL16900160 0.83 STIM1 (0.60) STIM1ORAI1MAPTPOLB
SCHEMBL10201324 0.82 ADORA2A (0.38) STIM1ORAI1ADORA2AADORA1ATR
SCHEMBL10201301 0.81 STIM1 (0.61) STIM1ORAI1MAPTPOLBTP53
SCHEMBL10201288 0.81 STIM1 (0.48) STIM1ORAI1KIT
SCHEMBL10256623 0.75 STIM1 (0.52) STIM1ORAI1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 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 (3 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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ADORA2A 1775/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ADORA2A 1775/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ADORA2A 1775/4885

“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.