SCHEMBL16088317

SCHEMBL16088317

CN(C)c1cccc(/C=C/N)c1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.40
PTGER3 P43115 4/20 0.40
PTGER2 P43116 4/20 0.40
PTGER1 P34995 2/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
BCHE P06276 6/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL16070272 0.83 PTGER4 (0.36) PTGER4PTGER3PTGER2PTGER1CCNB2
SCHEMBL16039680 0.83 CCNB2 (0.43) PTGER4PTGER3PTGER2PTGER1CCNB2
SCHEMBL16038658 0.82 MAOA (0.52) MAPTMAPK1TDP1L3MBTL1KDM4E
SCHEMBL16038659 0.82 MAOA (0.52) MAPTMAPK1TDP1L3MBTL1KDM4E
SCHEMBL16070267 0.82 MAOA (0.52) MAPTMAPK1TDP1L3MBTL1KDM4E
SCHEMBL16038660 0.73 BCHE (0.44) PTGER4PTGER3PTGER2PTGER1MAPT
SCHEMBL16037510 0.72 BCHE (0.43) PTGER4PTGER3PTGER2PTGER1MAPT
SCHEMBL21775799 0.71 PTGER1 (0.49) PTGER1MAPTLMNAGAAMAOB
SCHEMBL12774397 0.69 MAPT (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL16039152 0.69 LMNA (0.53) L3MBTL1KDM4ELMNAGAA

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 8 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-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-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-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 PTGER4 1493/4885PTGER3 1810/4885PTGER2 1254/4885
US-20160136166-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS HRAS, RECQL, CDK4 PTGER4 1493/4885PTGER3 1810/4885PTGER2 1254/4885

“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.