SCHEMBL14727142

SCHEMBL14727142

Cc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(N)=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.58
MAPT P10636 6/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 2/20 0.54
ADORA3 P0DMS8 2/20 0.52
ABCG2 Q9UNQ0 4/20 0.49
KDM4E B2RXH2 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABCB1 P08183 1/20 0.49
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP2C9 P11712 2/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
USP2 O75604 2/20 0.48
TSHR P16473 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48

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
SCHEMBL14474866 0.92 MAPT (0.54) PDE5AMAPTHTTMAPK1ADORA3
SCHEMBL14475528 0.90 L3MBTL1 (0.51) PDE5AMAPTMAPK1ADORA3ABCG2
SCHEMBL14474905 0.90 L3MBTL1 (0.51) PDE5AMAPTMAPK1ADORA3ABCG2
SCHEMBL14475416 0.89 RXFP1 (0.61) PDE5AMAPTMAPK1ADORA3ABCG2
SCHEMBL2154571 0.89 MAPT (0.50) PDE5AMAPTHTTMAPK1ADORA3
SCHEMBL16183257 0.89 PDE5A (0.59) PDE5AMAPTMAPK1ADORA3ABCG2
SCHEMBL14475145 0.89 ABCG2 (0.52) MAPTHTTMAPK1ADORA3ABCG2
SCHEMBL14359165 0.88 L3MBTL1 (0.49) PDE5AMAPTHTTMAPK1ADORA3
SCHEMBL14474008 0.88 PDE5A (0.58) PDE5AMAPTMAPK1ADORA3ABCG2
SCHEMBL14726035 0.88 CYP1A2 (0.63) PDE5AMAPTHTTMAPK1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE5A 748/4885MAPT 519/4885HTT 681/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PDE5A 979/4885MAPT 417/4885HTT 1065/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PDE5A 748/4885MAPT 519/4885HTT 681/4885

“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.