SCHEMBL724583

SCHEMBL724583

Cc1cc2cn(C)nc2cc1Br

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NSD2 O96028 1/20 0.46
STIM1 Q13586 2/20 0.35
ORAI1 Q96D31 2/20 0.35
NOTUM Q6P988 2/20 0.34
LMNA P02545 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
TERT O14746 1/20 0.31
TSHR P16473 1/20 0.31
KIT P10721 1/20 0.30
PDGFRA P16234 1/20 0.30
KDR P35968 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL15515928 0.92 MAPT (0.46) MAPTKDM4EALDH1A1NSD2STIM1
SCHEMBL15730121 0.84 KDM4E (0.52) MAPTKDM4EALDH1A1NSD2STIM1
SCHEMBL27138498 0.81 KDM4E (0.55) MAPTKDM4EALDH1A1NSD2STIM1
SCHEMBL29109564 0.79 MAPT (0.53) MAPTKDM4EALDH1A1NSD2MAOA
SCHEMBL24163113 0.77 MAPT (0.46) MAPTKDM4EALDH1A1NSD2STIM1
SCHEMBL13980264 0.77 MAPT (0.46) MAPTKDM4EALDH1A1NSD2STIM1
SCHEMBL29313505 0.77 KDM4E (0.46) MAPTKDM4EALDH1A1NSD2STIM1
SCHEMBL30665076 0.77 ALDH1A1 (0.55) MAPTKDM4EALDH1A1NSD2NOTUM
SCHEMBL26482518 0.77 MAPT (0.42) MAPTKDM4EALDH1A1NSD2
SCHEMBL23643801 0.77 ALDH1A1 (0.42) MAPTKDM4EALDH1A1NSD2

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 18 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
EP-2909212-B1 SUBSTITUTED 1,4-DIHYDROPYRAZOLO[4,3-B]INDOLES TAKEDA PHARMACEUTICALS CO (JP) 2017-02-22 EP disclosed
US-9475816-B2 Substituted-1,4-dihydropyrazolo[4,3-b]indoles TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
EP-2909212-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES Takeda Pharmaceutical Company Limited (JP) 2015-08-26 EP disclosed
US-20150225405-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 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-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
WO-2014039831-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-13 WO disclosed
EP-2609095-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-03 EP disclosed
CN-103180316-A Compounds that modulate intracellular calcium CALCIMEDICA INC 2013-06-26 CN 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
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 (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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 MAPT 1478/4885KDM4E 4057/4885ALDH1A1 4409/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885KDM4E 4057/4885ALDH1A1 4409/4885
US-20150225405-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES GPR119, RPLP2, FOXM1 MAPT 2754/4885KDM4E 2315/4885ALDH1A1 433/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885KDM4E 4057/4885ALDH1A1 4409/4885

“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.