SCHEMBL2804032

SCHEMBL2804032

c1ccc(CCCNc2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MERTK Q12866 8/20 0.37
TYRO3 Q06418 5/20 0.37
AXL P30530 4/20 0.37
IGF1R P08069 1/20 0.37
PRKCQ Q04759 1/20 0.35
HTR2C P28335 2/20 0.35
CTSC P53634 1/20 0.35
FLT3 P36888 1/20 0.34
GAS6 Q14393 1/20 0.34
KDR P35968 1/20 0.33

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
SCHEMBL2804178 0.87 KDR (0.38) ESR1ESR2MERTKTYRO3AXL
SCHEMBL2807886 0.86 MKNK1 (0.40) TYRO3IGF1RHTR2CKDR
SCHEMBL2804238 0.85 TRIM58 (0.36) MERTKTYRO3AXLIGF1RFLT3
SCHEMBL2806912 0.84 HTR7 (0.36) KDR
SCHEMBL13273524 0.84 FGFR1 (0.40) MERTKTYRO3AXLFLT3GAS6
SCHEMBL2803259 0.83 TSHR (0.39) HTR2C
SCHEMBL2804356 0.83 HDAC3 (0.39) MERTKKDR
SCHEMBL2803978 0.83 MKNK1 (0.39) MERTKTYRO3FLT3GAS6
SCHEMBL2802084 0.83 MKNK1 (0.39) MERTKTYRO3FLT3GAS6
SCHEMBL2802006 0.83 HDAC3 (0.42) HPGDESR1ESR2TYRO3PRKCQ

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 HPGD 160/4885ESR1 2960/4885ESR2 2403/4885

“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.