SCHEMBL16037705

SCHEMBL16037705

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.54
MAPT P10636 7/20 0.52
CYP1A2 P05177 5/20 0.52
CYP2C19 P33261 5/20 0.52
CYP2C9 P11712 4/20 0.52
PRNP P04156 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 5/20 0.52
NPSR1 Q6W5P4 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
PDE5A O76074 1/20 0.51
KDM4E B2RXH2 5/20 0.51
CYP3A4 P08684 4/20 0.51

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
SCHEMBL10756337 0.91 MAPT (0.61) MAPTCYP1A2CYP2C19CYP2C9PRNP
SCHEMBL16038710 0.90 MAPT (0.54) ELANEMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL16038902 0.87 KDM4E (0.53) MAPTCYP1A2CYP2C19CYP2C9PRNP
SCHEMBL16039806 0.83 POLB (0.55) ELANEMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL16039656 0.81 MAPT (0.59) MAPTCYP1A2CYP2C19TDP1POLB
SCHEMBL28341789 0.80 ELANE (0.48) ELANEMAPTPRNPTDP1L3MBTL1
SCHEMBL31115747 0.79 ALDH1A1 (0.56) ELANEMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL16039558 0.79 CYP19A1 (0.47) MAPTCYP1A2CYP2C19CYP2C9PRNP
SCHEMBL4121482 0.78 POLB (0.56) ELANEMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL28569622 0.78 GRM2 (0.65) ALDH1A1HPGDMEN1KMT2AGAA

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 ELANE 2961/4885MAPT 3125/4885CYP1A2 206/4885
US-20160136166-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS HRAS, RECQL, CDK4 ELANE 2961/4885MAPT 3125/4885CYP1A2 206/4885

“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.