SCHEMBL12155685

SCHEMBL12155685

O=C(Nc1cnc(-c2cc3c(cc2Cl)CC(F)(F)C3)cn1)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ STIM1 Q13586 1/20 0.50
▸ ORAI1 Q96D31 1/20 0.50
▸ ORAI2 Q96SN7 1/20 0.50
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ IL2 P60568 3/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ WNT1 P04628 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
SCHEMBL12155682 0.89 STIM1 (0.52) SMN1; SMN2TDP1STIM1ORAI1ORAI2
SCHEMBL12156309 0.89 STIM1 (0.60) SMN1; SMN2STIM1ORAI1ORAI2NPC1
SCHEMBL12156320 0.88 SMN1; SMN2 (0.51) SMN1; SMN2TDP1STIM1ORAI1ORAI2
SCHEMBL12156323 0.87 SMN1; SMN2 (0.58) SMN1; SMN2TDP1STIM1ORAI1NPC1
SCHEMBL12156316 0.83 STIM1 (0.49) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL1701463 0.82 STIM1 (0.51) SMN1; SMN2TDP1STIM1ORAI1ORAI2
SCHEMBL12241882 0.82 STIM1 (0.51) SMN1; SMN2TDP1STIM1ORAI1ORAI2
SCHEMBL12155654 0.82 STIM1 (0.57) SMN1; SMN2TDP1STIM1ORAI1ORAI2
SCHEMBL1702130 0.82 STIM1 (0.73) SMN1; SMN2TDP1STIM1ORAI1ORAI2
SCHEMBL12241382 0.79 STIM1 (0.50) SMN1; SMN2TDP1STIM1ORAI1ORAI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885TDP1 3096/4885STIM1 17/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885TDP1 3096/4885STIM1 17/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885TDP1 3096/4885STIM1 17/4885

“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.

Send feedback