SCHEMBL14717091

SCHEMBL14717091

N#Cc1cccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(Cl)c3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 11/20 0.53
▸ MAPT P10636 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MAP3K8 P41279 3/20 0.44
▸ MAPK13 O15264 1/20 0.44
▸ EIF2AK2 P19525 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ MAPK11 Q15759 1/20 0.44

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
SCHEMBL14474755 0.88 ABCG2 (0.59) ABCG2MAPTCYP1A2CYP3A4TSHR
SCHEMBL14727017 0.84 ABCG2 (0.56) ABCG2MAPTCYP1A2CYP3A4TSHR
SCHEMBL14726964 0.84 ABCG2 (0.56) ABCG2MAPTCYP1A2CYP3A4TSHR
SCHEMBL14475438 0.83 ABCG2 (0.57) ABCG2MAPTCYP1A2CYP3A4TSHR
SCHEMBL14475405 0.82 ABCG2 (0.56) ABCG2MAPTCYP1A2CYP3A4TSHR
SCHEMBL2156836 0.81 ABCG2 (0.63) ABCG2MAPTCYP1A2CYP3A4TSHR
SCHEMBL14474374 0.81 ABCG2 (0.54) ABCG2MAPTCYP1A2CYP3A4TSHR
SCHEMBL14727038 0.80 ABCG2 (0.64) ABCG2MAPTCYP1A2CYP3A4TSHR
SCHEMBL14726984 0.80 ABCG2 (0.64) ABCG2MAPTCYP1A2CYP3A4TSHR
SCHEMBL14474859 0.79 ABCG2 (0.64) ABCG2MAPTCYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885MAPT 417/4885CYP1A2 4619/4885

“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.

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