SCHEMBL2802703

SCHEMBL2802703

Cc1cc(CNc2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)no1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.34
IGF1R P08069 1/20 0.34
FGFR1 P11362 1/20 0.34
KCNH2 Q12809 4/20 0.33
TLR7 Q9NYK1 4/20 0.33
PLK1 P53350 1/20 0.33
HTR2A P28223 1/20 0.33
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN1 Q05586 1/20 0.32
PDE10A Q9Y233 2/20 0.32
BRAF P15056 1/20 0.31
MAPK1 P28482 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
METAP2 P50579 1/20 0.30

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
SCHEMBL2805905 0.82 CTSB (0.39) MAPK1
SCHEMBL2803960 0.81 KDR (0.37) KDRPLK1MAPT
SCHEMBL2802792 0.80 PRKCQ (0.35) KDRPLK1MAPT
SCHEMBL2802580 0.79 HDAC3 (0.43) KDRPLK1
SCHEMBL2802514 0.79 KDR (0.40) KDRIGF1RPLK1
SCHEMBL2804356 0.79 HDAC3 (0.39) KDRPLK1
SCHEMBL2804136 0.79 PRKCQ (0.37) KDRIGF1RPLK1
SCHEMBL2806117 0.79 NPC1 (0.41) MAPT
SCHEMBL2803835 0.79 DYRK1A (0.36) KDRPLK1
SCHEMBL2805045 0.78 VNN1 (0.38) KDRMAPT

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 KDR 1416/4885IGF1R 2484/4885FGFR1 530/4885

“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.