SCHEMBL10201050

SCHEMBL10201050

CCc1cc(-c2cnc(NC(=O)c3c(F)cccc3F)s2)n(CC)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 5/20 0.54
ORAI1 Q96D31 5/20 0.54
PCSK9 Q8NBP7 1/20 0.41
GAA P10253 1/20 0.41
KDR P35968 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
IL2 P60568 1/20 0.39
POLB P06746 1/20 0.39
ABL1 P00519 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39

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
SCHEMBL10201037 0.87 STIM1 (0.71) STIM1ORAI1PCSK9MEN1KMT2A
SCHEMBL10201045 0.81 STIM1 (0.51) STIM1ORAI1GAAKDRMEN1
SCHEMBL10201048 0.81 STIM1 (0.51) STIM1ORAI1KDRMEN1KMT2A
SCHEMBL10201049 0.81 STIM1 (0.76) STIM1ORAI1GAAMEN1KMT2A
SCHEMBL21119877 0.80 STIM1 (0.59) STIM1ORAI1KDRMEN1KMT2A
SCHEMBL10201031 0.76 STIM1 (0.69) STIM1ORAI1MEN1KMT2AALDH1A1
SCHEMBL10256710 0.75 STIM1 (0.56) STIM1ORAI1GAAKDRMEN1
SCHEMBL10201057 0.75 STIM1 (0.82) STIM1ORAI1KDRMEN1KMT2A
SCHEMBL10201056 0.75 STIM1 (0.82) STIM1ORAI1KDRMEN1KMT2A
SCHEMBL10201063 0.75 STIM1 (0.56) STIM1ORAI1GAAKDRMEN1

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 8 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
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO 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 1/4885PCSK9 2975/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885PCSK9 2975/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885PCSK9 2975/4885

“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.