SCHEMBL14727344

SCHEMBL14727344

Clc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 2/20 0.73
TSHR P16473 2/20 0.73
USP2 O75604 1/20 0.73
ALDH1A1 P00352 1/20 0.73
LMNA P02545 1/20 0.73
CLK4 Q9HAZ1 1/20 0.73
PDE5A O76074 6/20 0.70
ABCG2 Q9UNQ0 9/20 0.66
MAPT P10636 2/20 0.65
MAPK1 P28482 2/20 0.65
KDM4E B2RXH2 1/20 0.65
HPGD P15428 1/20 0.65
CYP2C19 P33261 1/20 0.65
HSD17B10 Q99714 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
HTT P42858 1/20 0.62
TGFBR1 P36897 1/20 0.59
KDM1A O60341 1/20 0.58
ABCB1 P08183 1/20 0.58

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
SCHEMBL2155652 0.95 PDE5A (0.67) CYP1A2CYP3A4TSHRUSP2ALDH1A1
SCHEMBL14474872 0.93 CYP1A2 (0.72) CYP1A2CYP3A4TSHRUSP2ALDH1A1
SCHEMBL14727349 0.91 MAPT (0.73) CYP1A2CYP3A4TSHRUSP2ALDH1A1
SCHEMBL14474789 0.91 ABCG2 (0.78) CYP1A2CYP3A4TSHRUSP2ALDH1A1
SCHEMBL14475047 0.90 PDE5A (0.63) CYP1A2CYP3A4TSHRUSP2ALDH1A1
SCHEMBL16183360 0.90 PDE5A (0.63) CYP1A2CYP3A4TSHRUSP2ALDH1A1
SCHEMBL14475105 0.90 ABCG2 (0.65) CYP1A2CYP3A4TSHRUSP2ALDH1A1
SCHEMBL20273407 0.89 ABCG2 (0.62) CYP1A2CYP3A4TSHRUSP2ALDH1A1
SCHEMBL14727346 0.88 ABCG2 (0.79) CYP1A2CYP3A4TSHRUSP2ALDH1A1
SCHEMBL14727366 0.88 ABCG2 (0.75) CYP1A2CYP3A4TSHRUSP2ALDH1A1

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 6 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-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US 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

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 CYP1A2 4552/4885CYP3A4 4815/4885TSHR 2177/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP1A2 4619/4885CYP3A4 4805/4885TSHR 2340/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP3A4 4815/4885TSHR 2177/4885

“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.