SCHEMBL2802913

SCHEMBL2802913

O=C1CC[C@@H](c2ccccc2F)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
TNKS2 Q9H2K2 2/20 0.41
LMNA P02545 2/20 0.40
PDE6D O43924 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM1A O60341 2/20 0.38
KDM1B Q8NB78 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL29433522 1.00 CYP19A1 (0.49) CYP19A1TNKS2LMNAPDE6DALDH1A1
SCHEMBL2802917 1.00 CYP19A1 (0.49) CYP19A1TNKS2LMNAPDE6DALDH1A1
SCHEMBL2489537 0.80 CYP19A1 (0.47) CYP19A1
SCHEMBL2487177 0.80 SLC6A2 (0.44) CYP19A1KDM1A
SCHEMBL19000834 0.79 DDB1 (0.55) TNKS2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2492670 0.79 TP53 (0.42) TNKS2LMNAALDH1A1GAAKDM4E
SCHEMBL8171790 0.79 NPC1 (0.40) CYP19A1LMNAALDH1A1KDM1ACYP1A2
SCHEMBL2484478 0.79 DDB1 (0.47) CYP19A1LMNAALDH1A1KDM4ECYP1A2
SCHEMBL19380843 0.79 DDB1 (0.47) CYP19A1LMNAALDH1A1KDM4ECYP1A2
SCHEMBL10725754 0.76 CYP19A1 (0.52) CYP19A1MEN1KMT2AKDM4EMAPT

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189036-B1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATION DISORDERS ARQULE INC (US) 2023-07-19 EP disclosed
EP-3189036-B1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATION DISORDERS ARQULE INC (US) 2023-07-19 EP disclosed
CN-114874149-A Process for preparing substituted 5, 6-dihydro-6-phenylbenzo [ F ] isoquinolin-2-amines 艾科尔公司 2022-08-09 CN disclosed
EP-4015508-A1 METHODS FOR PREPARING SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE ArQule, Inc. (US) 2022-06-22 EP disclosed
EP-4015508-A1 METHODS FOR PREPARING SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE ArQule, Inc. (US) 2022-06-22 EP disclosed
US-11279679-B2 Methods for preparing substituted 5,6-dihydro-6-phenylbenzo[f]isoquinolin-2-amine ARQULE, INC. (US) 2022-03-22 US disclosed
US-10766868-B2 Methods for preparing substituted 5,6-dihydro-6-phenylbenzo[f]isoquinolin-2-amine ARQULE, INC. (US) 2020-09-08 US disclosed
US-10766868-B2 Methods for preparing substituted 5,6-dihydro-6-phenylbenzo[f]isoquinolin-2-amine ARQULE, INC. (US) 2020-09-08 US disclosed
US-20200102276-A1 METHODS FOR PREPARING SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE ARQULE, INC. 2020-04-02 US disclosed
US-20200102276-A1 METHODS FOR PREPARING SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE ARQULE, INC. 2020-04-02 US disclosed
WO-2016037044-A1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATION DISORDERS ARQULE, INC. (US) 2016-03-10 WO disclosed
US-20160067260-A1 Compositions and Methods for Treating Proliferation Disorders ARQULE, INC. 2016-03-10 US disclosed
US-20160067260-A1 Compositions and Methods for Treating Proliferation Disorders ARQULE, INC. 2016-03-10 US disclosed
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 EP disclosed
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 EP disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO 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 (5 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-10766868-B2 Methods for preparing substituted 5,6-dihydro-6-phenylbenzo[f]isoquinolin-2-amine QDPR, SFPQ, ABL1 CYP19A1 1323/4885TNKS2 635/4885LMNA 808/4885
US-20160067260-A1 Compositions and Methods for Treating Proliferation Disorders MKI67, HRAS, VHL CYP19A1 1850/4885TNKS2 781/4885LMNA 625/4885
US-11279679-B2 Methods for preparing substituted 5,6-dihydro-6-phenylbenzo[f]isoquinolin-2-amine QDPR, SFPQ, ABL1 CYP19A1 1323/4885TNKS2 635/4885LMNA 808/4885
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS NQO1, DPYD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP19A1 683/4885TNKS2 476/4885LMNA 1658/4885
US-20200102276-A1 METHODS FOR PREPARING SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE QDPR, SFPQ, ABL1 CYP19A1 1323/4885TNKS2 635/4885LMNA 808/4885

“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.