SCHEMBL10201672

SCHEMBL10201672

O=C(Nc1ncc(Br)s1)c1c(F)cncc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
MAPK10 P53779 1/20 0.47
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
FBP1 P09467 5/20 0.41
FFAR2 O15552 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.39
FPR2 P25090 1/20 0.39
STIM1 Q13586 1/20 0.38

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
SCHEMBL723210 0.87 MEN1 (0.53) SMN1; SMN2NPC1LMNARAB9APKM
SCHEMBL20915558 0.76 SMN1; SMN2 (0.49) SMN1; SMN2NPC1LMNARAB9APKM
SCHEMBL10201673 0.74 NPC1 (0.56) SMN1; SMN2NPC1LMNARAB9AMEN1
SCHEMBL962214 0.73 FBP1 (0.47) SMN1; SMN2NPC1LMNARAB9APKM
SCHEMBL6729 0.73 CCNE1 (0.59) SMN1; SMN2NPC1LMNARAB9APKM
SCHEMBL836669 0.72 KDR (0.68) SMN1; SMN2NPC1LMNARAB9APKM
SCHEMBL14476229 0.72 SMN1; SMN2 (0.55) SMN1; SMN2NPC1LMNARAB9APKM
SCHEMBL1749806 0.72 SMN1; SMN2 (0.59) SMN1; SMN2NPC1LMNARAB9APKM
SCHEMBL2650712 0.71 SMN1; SMN2 (0.54) SMN1; SMN2NPC1LMNARAB9APKM
SCHEMBL13524033 0.71 STAT3 (0.48) SMN1; SMN2NPC1LMNARAB9APKM

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 11 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-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 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
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-20130143927-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-06-06 US disclosed
US-20130143927-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-06-06 US disclosed
WO-2012170951-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 WO disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US 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

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-20130143927-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885NPC1 262/4885LMNA 1306/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885NPC1 262/4885LMNA 1306/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885NPC1 262/4885LMNA 1306/4885

“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.