SCHEMBL16038390

SCHEMBL16038390

O=C(O)c1nc(-c2ccc(F)cc2F)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GRM2 Q14416 5/20 0.45
▸ KMO O15229 2/20 0.45
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ HIF1A Q16665 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ AKR1B1 P15121 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ CA1 P00915 1/20 0.40

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
SCHEMBL14529444 0.79 ACHE (0.49) SMN1; SMN2GRM2MAPTMEN1KMT2A
SCHEMBL16039656 0.79 MAPT (0.59) SMN1; SMN2LMNAGRM2MAPTALDH1A1
SCHEMBL16038165 0.78 ABCG2 (0.53) SMN1; SMN2LMNAKMOMAPTALDH1A1
SCHEMBL1083778 0.76 CYP2D6 (0.63) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL4753567 0.76 MAPT (0.41) SMN1; SMN2LMNAGRM2MAPTMEN1
SCHEMBL4753568 0.76 CYP1A2 (0.63) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL18118616 0.75 DHODH (0.60) MAPTDHFRDHODH
SCHEMBL10724373 0.74 DHODH (0.59) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10730880 0.74 MEN1 (0.56) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL4090989 0.74 HIF1A (0.76) LMNAMAPTALDH1A1MEN1KMT2A

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 6 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-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
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

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 SMN1; SMN2 2707/4885LMNA 846/4885GRM2 3277/4885
US-20160136166-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS HRAS, RECQL, CDK4 SMN1; SMN2 2707/4885LMNA 846/4885GRM2 3277/4885

“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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