SCHEMBL720134

SCHEMBL720134

Cc1cccnc1C(=O)Nc1ncc(Br)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
PKM P14618 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.54
FBP1 P09467 4/20 0.53
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CDK5 Q00535 1/20 0.48
MAPK10 P53779 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
SETD1B Q9UPS6 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KDR P35968 1/20 0.43
KIT P10721 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL10201493 0.81 FBP1 (0.58) SMN1; SMN2NPC1PKMRAB9ALMNA
SCHEMBL3175859 0.77 STAT3 (0.67) SMN1; SMN2NPC1PKMRAB9ALMNA
SCHEMBL2594378 0.77 NPC1 (0.69) SMN1; SMN2NPC1PKMRAB9ALMNA
SCHEMBL14455124 0.75 FBP1 (0.50) SMN1; SMN2NPC1PKMRAB9ALMNA
SCHEMBL7045677 0.74 HDAC1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1KIT
SCHEMBL836669 0.74 KDR (0.68) SMN1; SMN2NPC1PKMRAB9ALMNA
SCHEMBL3260074 0.73 STAT3 (0.47) SMN1; SMN2NPC1PKMRAB9ALMNA
SCHEMBL28151967 0.73 POLB (0.50) NPC1RAB9AALDH1A1KITKDM4E
SCHEMBL13524016 0.73 ALDH1A1 (0.49) SMN1; SMN2NPC1PKMRAB9ALMNA
SCHEMBL6729 0.72 CCNE1 (0.59) SMN1; SMN2NPC1PKMRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591311-A Compounds that modulate intracellular calcium 钙医学公司 2022-06-07 CN disclosed
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
EP-2609095-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-03 EP disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 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 (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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885NPC1 262/4885PKM 1872/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885NPC1 262/4885PKM 1872/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885NPC1 262/4885PKM 1872/4885

“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.