SCHEMBL12155990

SCHEMBL12155990

O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCC3)cn1)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 3/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.42
▸ XPO1 O14980 1/20 0.41
▸ FABP4 P15090 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL12241337 0.98 SMN1; SMN2 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12155967 0.91 MEN1 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12155988 0.90 MEN1 (0.43) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL12241338 0.89 FLT3 (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12155969 0.88 MEN1 (0.43) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12241331 0.87 KMT2A (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12155975 0.87 MEN1 (0.49) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12241341 0.85 NPC1 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12155971 0.85 IL2 (0.39) LMNAKDM4EALDH1A1FABP4FABP5
SCHEMBL12155955 0.83 IL2 (0.39) LMNAKDM4EALDH1A1FABP4FABP5

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 12 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-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
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 — — 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 (4 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 KMT2A 4706/4885MEN1 2958/4885NPC1 262/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 KMT2A 4706/4885MEN1 2958/4885NPC1 262/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885MEN1 2958/4885NPC1 262/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885MEN1 2958/4885NPC1 262/4885

“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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