SCHEMBL2803835

SCHEMBL2803835

Clc1ccc(CNc2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.36
CLK4 Q9HAZ1 8/20 0.36
CLK1 P49759 7/20 0.36
CLK2 P49760 6/20 0.36
DYRK1B Q9Y463 6/20 0.36
CLK3 P49761 2/20 0.36
USP1 O94782 2/20 0.35
WDR48 Q8TAF3 2/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
KDR P35968 2/20 0.34
PLK1 P53350 2/20 0.34
CCNT1 O60563 2/20 0.33
INSR P06213 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
SCHEMBL2807852 0.92 HDAC3 (0.42) DYRK1ACLK4KDRCCNT1
SCHEMBL2802514 0.89 KDR (0.40) KDRPLK1
SCHEMBL2805045 0.86 VNN1 (0.38) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL2804356 0.85 HDAC3 (0.39) USP1WDR48KDRPLK1
SCHEMBL2805905 0.85 CTSB (0.39) CLK4USP1WDR48
SCHEMBL2806117 0.85 NPC1 (0.41) USP1WDR48
SCHEMBL2807903 0.84 CCR4 (0.39) KDRPLK1
SCHEMBL2807906 0.83 IDH1 (0.35) KDRPLK1INSR
SCHEMBL2807751 0.83 CCNA2 (0.44) CLK4KDRPLK1INSR
SCHEMBL2802918 0.83 AXL (0.45) DYRK1ACLK1CCNT1

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
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 DYRK1A 2130/4885CLK4 3350/4885CLK1 3456/4885

“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.