SCHEMBL2155114

SCHEMBL2155114

Oc1nc(-c2cccnc2)nc2c(F)cc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA5 P30532 2/20 0.43
CHRNA4 P43681 2/20 0.43
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 2/20 0.40
RXFP1 Q9HBX9 2/20 0.39
KMT2A Q03164 1/20 0.39
TDO2 P48775 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 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
SCHEMBL2155051 0.86 SMN1; SMN2 (0.44) CHRNB2CHRNA5CHRNA4CYP11B1CYP11B2
SCHEMBL2155611 0.84 CHRNB2 (0.43) CHRNB2CHRNA5CHRNA4CYP11B1CYP11B2
SCHEMBL14359116 0.83 NPC1 (0.47) CYP11B1CYP11B2CYP17A1CYP19A1KMT2A
SCHEMBL14358838 0.81 CYP1A2 (0.56) CHRNB2CHRNA5CHRNA4CYP3A4KMT2A
SCHEMBL14358955 0.79 CYP3A4 (0.43) CHRNB2CHRNA5CHRNA4CYP11B1CYP11B2
SCHEMBL27887768 0.78 CYP11B1 (0.49) CHRNB2CHRNA5CHRNA4CYP11B1CYP11B2
SCHEMBL2155318 0.78 KMT2A (0.55) CYP11B1CYP11B2CYP3A4CYP19A1RXFP1
SCHEMBL14727080 0.77 MAPT (0.53) CHRNB2CHRNA5CHRNA4CYP3A4KDM4E
SCHEMBL14358473 0.76 CYP11B1 (0.49) CHRNB2CHRNA5CHRNA4CYP11B1CYP11B2
SCHEMBL14358640 0.74 CYP11B1 (0.43) CHRNB2CHRNA5CHRNA4CYP11B1CYP11B2

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
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 EP disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
EP-2521549-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2016-08-17 EP disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 EP disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
EP-2521549-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2012-11-14 EP disclosed
WO-2011082337-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORP. (US) 2011-07-07 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CHRNB2 122/4885CHRNA5 174/4885CHRNA4 187/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CHRNB2 127/4885CHRNA5 265/4885CHRNA4 283/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CHRNB2 122/4885CHRNA5 174/4885CHRNA4 187/4885

“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.