SCHEMBL12241395

SCHEMBL12241395

Cc1ccc(C(=O)Nc2ccc(-c3cc(-c4ccccc4)nn3C)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.53
▸ DEGS1 O15121 1/20 0.51
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ 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
▸ GSK3B P49841 2/20 0.48
▸ DYRK1A Q13627 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ HCAR3 P49019 1/20 0.46
▸ PHGDH O43175 1/20 0.46
▸ APEX1 P27695 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TMIGD3 P0DMS9 1/20 0.45

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) GRM5DEGS1RAB9ASMN1; SMN2KDM4E
SCHEMBL12156006 0.92 ADORA3 (0.53) GRM5DEGS1RAB9ASMN1; SMN2TP53
SCHEMBL12241397 0.90 GRM5 (0.54) GRM5RAB9ASMN1; SMN2MEN1NPC1
SCHEMBL12156001 0.85 ALDH1A1 (0.56) GRM5RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL12156008 0.82 STIM1 (0.66) GRM5RAB9ASMN1; SMN2TP53GSK3B
SCHEMBL12156004 0.82 SMN1; SMN2 (0.52) GRM5RAB9ASMN1; SMN2TP53TSHR
SCHEMBL12156016 0.82 GRM5 (0.46) GRM5RAB9A
SCHEMBL12156018 0.82 STIM1 (0.53) GRM5RAB9ASMN1; SMN2TP53GSK3B
SCHEMBL12156019 0.77 MEN1 (0.47) DEGS1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL14081503 0.76 ESRRA (0.52) RAB9ASMN1; SMN2KDM4EPHGDHTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 — — 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 (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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GRM5 1117/4885DEGS1 1319/4885RAB9A 1174/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GRM5 1117/4885DEGS1 1319/4885RAB9A 1174/4885

“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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