SCHEMBL10201306

SCHEMBL10201306

Cn1nc(-c2ncco2)cc1-c1ncc(NC(=O)c2ccccc2F)s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 6/20 0.54
ORAI1 Q96D31 6/20 0.54
LCLAT1 Q6UWP7 2/20 0.42
IL2 P60568 1/20 0.40
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
ADORA2A P29274 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
SCHEMBL10201314 0.90 IL2 (0.51) STIM1ORAI1IL2LMNAADORA2A
SCHEMBL10255600 0.90 STIM1 (0.42) STIM1ORAI1IL2MAPTSMN1; SMN2
SCHEMBL10201309 0.89 STIM1 (0.42) STIM1ORAI1POLBSMN1; SMN2NPC1
SCHEMBL10201296 0.87 STIM1 (0.71) STIM1ORAI1KMT2AMAPTPOLB
SCHEMBL10201305 0.86 STIM1 (0.53) STIM1ORAI1LCLAT1KMT2ASMN1; SMN2
SCHEMBL10201298 0.83 STIM1 (0.56) STIM1ORAI1KMT2AMAPTPOLB
SCHEMBL16900160 0.81 STIM1 (0.60) STIM1ORAI1MAPTPOLBSMN1; SMN2
SCHEMBL10262336 0.80 STIM1 (0.62) STIM1ORAI1KMT2AMAPTPOLB
SCHEMBL10201301 0.80 STIM1 (0.61) STIM1ORAI1KMT2AMAPTPOLB
SCHEMBL10201282 0.79 STIM1 (0.54) STIM1ORAI1KMT2AGAASMN1; SMN2

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 1/4885LCLAT1 570/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885LCLAT1 570/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885LCLAT1 570/4885

“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.