SCHEMBL2805905

SCHEMBL2805905

Cc1cccc(CNc2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CYP1A2 P05177 14/20 0.39
CYP3A4 P08684 13/20 0.39
CYP2D6 P10635 13/20 0.39
CYP2C19 P33261 12/20 0.39
TSHR P16473 11/20 0.39
CYP2C9 P11712 4/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
USP1 O94782 1/20 0.38
WDR48 Q8TAF3 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 4/20 0.37
ALOX15 P16050 3/20 0.37
MAPK1 P28482 3/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 4/20 0.37
HSD17B10 Q99714 3/20 0.37

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
SCHEMBL2807751 0.88 CCNA2 (0.44) CYP1A2CYP3A4CYP2C19TSHRCYP2C9
SCHEMBL2802918 0.86 AXL (0.45) HTR2CHTR2BVNN1
SCHEMBL2803835 0.85 DYRK1A (0.36) USP1WDR48CLK4
SCHEMBL2808053 0.84 TACR1 (0.41)
SCHEMBL2802514 0.83 KDR (0.40) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL2804356 0.83 HDAC3 (0.39) USP1WDR48
SCHEMBL2806117 0.83 NPC1 (0.41) HTR2BUSP1WDR48ALDH1A1SMN1; SMN2
SCHEMBL2802792 0.83 PRKCQ (0.35) HTR2CHTR2BALDH1A1HPGDCLK4
SCHEMBL2807852 0.83 HDAC3 (0.42) MAPK1CLK4
SCHEMBL2805045 0.83 VNN1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9

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 CTSB 3360/4885CTSS 4409/4885CTSK 3991/4885

“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.