SCHEMBL2802664

SCHEMBL2802664

Cc1ccc(CCNc2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)cc1C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.32
PLK1 P53350 2/20 0.32
FGFR1 P11362 2/20 0.32
FLT3 P36888 2/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
STAT6 P42226 1/20 0.32
CSF1R P07333 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HRH4 Q9H3N8 2/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SLC6A2 P23975 1/20 0.30
HRH2 P25021 1/20 0.30
HTR1D P28221 1/20 0.30
HTR2A P28223 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
SCHEMBL2804178 0.86 KDR (0.38) KDRSTAT6ESR1ESR2HRH4
SCHEMBL2807886 0.84 MKNK1 (0.40) KDRFGFR1HRH4ADRA2BADRA2C
SCHEMBL2804032 0.82 HPGD (0.40) KDRFLT3ESR1ESR2HTR2C
SCHEMBL2802006 0.81 HDAC3 (0.42) KDRPLK1ESR1ESR2HTR2A
SCHEMBL2805905 0.81 CTSB (0.39) HTR2CHTR2B
SCHEMBL2802929 0.81 HDAC3 (0.41) KDRPLK1FGFR1HTR2CHTR2B
SCHEMBL2804916 0.80 CASR (0.40) KDRPLK1HTR2AHTR7HTR6
SCHEMBL2805814 0.80 KDR (0.31) KDRPLK1
SCHEMBL2804238 0.80 TRIM58 (0.36) KDRPLK1FGFR1FLT3PDGFRB
SCHEMBL2804670 0.80 KDM4E (0.40) KDRPLK1FLT3HTR7TYRO3

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 5 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

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 1416/4885PLK1 83/4885FGFR1 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.