SCHEMBL2804732

SCHEMBL2804732

FC(F)(F)c1ccnc(N2CCN(c3ncc4c(n3)-c3ccccc3C3(CCNCC3)C4)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.52
RBP4 P02753 1/20 0.40
PKM P14618 2/20 0.40
SLC6A7 Q99884 1/20 0.40
PARP1 P09874 1/20 0.37
LCAT P04180 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
OGA O60502 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
HTR2C P28335 3/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL2807816 0.83 ALDH1A1 (0.32) ADRB1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL2805621 0.82 ALDH1A1 (0.40) KMT2ASMN1; SMN2CYP1A2CYP2C9ALDH1A1
SCHEMBL2805783 0.81 ALDH1A1 (0.36) SLC6A7KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL2805444 0.79 ADRB2 (0.41)
SCHEMBL2805183 0.79 SIGMAR1 (0.44) PARP1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL2802561 0.78 POLB (0.47) PARP1KMT2AKDM4EHTR2CHTR2B
SCHEMBL2803911 0.78 HTR3A (0.35) KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL2805709 0.78 CYP11B2 (0.37) KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL2803304 0.78 DRD4 (0.39) KDM4EHTR2AALDH1A1
SCHEMBL2803848 0.76 MAPT (0.46) KDM4ESMN1; SMN2ALDH1A1

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
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

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 ADRB1 946/4885RBP4 4377/4885PKM 992/4885

“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.