SCHEMBL2805030

SCHEMBL2805030

CNc1ncc2c(n1)-c1ccccc1C1(CCN(Cc3ccccc3F)CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAT2A P31153 2/20 0.38
CYP2C9 P11712 1/20 0.36
ACHE P22303 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2A13 Q16696 1/20 0.36
MERTK Q12866 1/20 0.35
MAPT P10636 1/20 0.35
CXCR3 P49682 1/20 0.34

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
SCHEMBL2803984 0.89 MAPT (0.39) ALDH1A1ACHEKCNH2CYP2A13MAPT
SCHEMBL2807860 0.89 TP53 (0.38) ALDH1A1KCNH2CYP2A13MERTKMAPT
SCHEMBL2803730 0.86 SIGMAR1 (0.45) ALDH1A1CYP2C9
SCHEMBL2805415 0.86 SIGMAR1 (0.46) ALDH1A1CYP2C9
SCHEMBL2805406 0.85 SIGMAR1 (0.35) ALDH1A1MAPT
SCHEMBL2803119 0.84 MEN1 (0.39) ALDH1A1ACHE
SCHEMBL2808549 0.84 AXL (0.44) KCNH2
SCHEMBL2802601 0.83 SIGMAR1 (0.47) ALDH1A1CYP2C9
SCHEMBL2805196 0.83 SIGMAR1 (0.50) POLBALDH1A1CYP2C9
SCHEMBL2803944 0.82 SIGMAR1 (0.41) POLBALDH1A1CYP2C9ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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 POLB 667/4885ALDH1A1 510/4885MAT2A 1994/4885

“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.