SCHEMBL12155947

SCHEMBL12155947

Cc1c(-c2cnc(NC(=O)C(C)C)cn2)cc2c(c1F)CCC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.41
▸ MAP4K1 Q92918 1/20 0.38
▸ NUDT1 P36639 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ IL2 P60568 1/20 0.34
▸ STIM1 Q13586 2/20 0.33
▸ ORAI1 Q96D31 2/20 0.33
▸ ORAI2 Q96SN7 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33

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
SCHEMBL12155965 0.85 ABL1 (0.51) ABL1MAP4K1NUDT1RAB9ASMN1; SMN2
SCHEMBL12155981 0.82 IL2 (0.49) ABL1MAP4K1IL2STIM1ORAI1
SCHEMBL12241725 0.82 NPC1 (0.44) ABL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12155979 0.82 IL2 (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1IL2
SCHEMBL12155687 0.81 SMN1; SMN2 (0.48) ABL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12155962 0.78 SMN1; SMN2 (0.38) ABL1MAP4K1NPSR1RAB9ASMN1; SMN2
SCHEMBL12156308 0.77 MAP4K1 (0.41) ABL1MAP4K1RAB9ASMN1; SMN2NPC1
SCHEMBL12241730 0.72 ABL1 (0.38) ABL1MAP4K1RAB9ASMN1; SMN2NPC1
SCHEMBL12241318 0.71 NPSR1 (0.39) ABL1MAP4K1NUDT1NPSR1RAB9A
SCHEMBL12156312 0.71 STIM1 (0.41) ABL1MAP4K1RAB9ASMN1; SMN2NPC1

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 ABL1 4066/4885MAP4K1 1888/4885NUDT1 2720/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ABL1 4066/4885MAP4K1 1888/4885NUDT1 2720/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ABL1 4066/4885MAP4K1 1888/4885NUDT1 2720/4885

“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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