SCHEMBL12156006

SCHEMBL12156006

Cn1nc(-c2ccccc2)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.53
▸ GRM5 P41594 1/20 0.53
▸ DEGS1 O15121 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ F10 P00742 2/20 0.47
▸ GSK3B P49841 2/20 0.47

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
SCHEMBL12156010 0.93 DEGS1 (0.52) ADORA3GRM5DEGS1MAPTMEN1
SCHEMBL12241395 0.92 GRM5 (0.53) GRM5DEGS1MEN1RAB9AKMT2A
SCHEMBL12156001 0.91 ALDH1A1 (0.56) ADORA3GRM5MAPTMEN1RAB9A
SCHEMBL12156004 0.86 SMN1; SMN2 (0.52) GRM5MEN1RAB9AKMT2ANPC1
SCHEMBL12156016 0.86 GRM5 (0.46) GRM5MAPTRAB9A
SCHEMBL12241397 0.85 GRM5 (0.54) GRM5MAPTMEN1RAB9AKMT2A
SCHEMBL12156018 0.82 STIM1 (0.53) GRM5MAPTMEN1RAB9AKMT2A
SCHEMBL12156008 0.82 STIM1 (0.66) GRM5MAPTRAB9AKMT2ANPC1
SCHEMBL2855473 0.78 MAPT (0.71) ADORA3GRM5MAPTMEN1KMT2A
SCHEMBL12156019 0.77 MEN1 (0.47) ADORA3DEGS1MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
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-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
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — 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 (2 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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ADORA3 2617/4885GRM5 1117/4885DEGS1 1319/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ADORA3 2617/4885GRM5 1117/4885DEGS1 1319/4885

“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.

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