SCHEMBL16039656

SCHEMBL16039656

O=C(O)c1nc(-c2ccc(F)cc2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
PPARG P37231 1/20 0.59
NCOA2 Q15596 1/20 0.59
NCOA1 Q15788 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
ABCG2 Q9UNQ0 5/20 0.55
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
LMNA P02545 3/20 0.54
USP2 O75604 2/20 0.54
TP53 P04637 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL7601367 0.88 ABCG2 (0.54) MAPTALDH1A1KDM4EPPARGNCOA2
SCHEMBL5781008 0.88 ABCG2 (0.57) MAPTALDH1A1KDM4EPPARGNCOA2
SCHEMBL16038386 0.86 CYP1A2 (0.50) MAPTALDH1A1KDM4EPPARGNCOA2
SCHEMBL10724373 0.85 DHODH (0.59) MAPTALDH1A1KDM4EPPARGNCOA2
SCHEMBL16039130 0.84 MEN1 (0.62) MAPTALDH1A1KDM4EABCG2MEN1
SCHEMBL16038378 0.84 PDE10A (0.58) MAPTALDH1A1KDM4EABCG2MEN1
SCHEMBL16039146 0.84 CYP1A1 (0.60) MAPTALDH1A1KDM4EABCG2MEN1
SCHEMBL5795510 0.84 CYP1B1 (0.60) MAPTALDH1A1KDM4EABCG2MEN1
SCHEMBL16038183 0.83 ABCG2 (0.56) MAPTALDH1A1KDM4EPPARGNCOA2
SCHEMBL16038165 0.83 ABCG2 (0.53) MAPTALDH1A1KDM4EPPARGNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9713615-B2 Tetrahydroisoquinolin-2-yl-(quinazolin-4-yl)methanone compounds REXAHN PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-9713615-B2 Tetrahydroisoquinolin-2-yl-(quinazolin-4-yl)methanone compounds REXAHN PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-9713615-B2 Tetrahydroisoquinolin-2-yl-(quinazolin-4-yl)methanone compounds REXAHN PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-20160136166-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS Ocuphire Pharma, Inc. 2016-05-19 US disclosed
US-20160136166-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS Ocuphire Pharma, Inc. 2016-05-19 US disclosed
US-20160136166-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS Ocuphire Pharma, Inc. 2016-05-19 US disclosed
EP-2970203-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL) METHANONE COMPOUNDS AS CANCER CELL GROWTH INHIBITORS Rexahn Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-9193707-B2 Tetrahydroisoquinolin-2-yl-(quinazolin-4-yl)methanone compounds REXAHN PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-9193707-B2 Tetrahydroisoquinolin-2-yl-(quinazolin-4-yl)methanone compounds REXAHN PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-9193707-B2 Tetrahydroisoquinolin-2-yl-(quinazolin-4-yl)methanone compounds REXAHN PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
WO-2014143960-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL) METHANONE COMPOUNDS AS CANCER CELL GROWTH INHIBITORS REXAHN PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
US-20140275129-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS REXAHN PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275129-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS REXAHN PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275129-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS REXAHN PHARMACEUTICALS, INC. (US) 2014-09-18 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 (2 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-20140275129-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS HRAS, RECQL, CDK4 MAPT 3125/4885ALDH1A1 2000/4885KDM4E 1399/4885
US-20160136166-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS HRAS, RECQL, CDK4 MAPT 3125/4885ALDH1A1 2000/4885KDM4E 1399/4885

“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.