SCHEMBL2807751

SCHEMBL2807751

COc1cccc(CNc2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
AURKA O14965 1/20 0.44
KDR P35968 3/20 0.41
NTRK1 P04629 1/20 0.41
IGF1R P08069 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CASR P41180 1/20 0.40
CCNK O75909 1/20 0.39
CCND3 P30281 1/20 0.39
CDK9 P50750 1/20 0.39
CDK6 Q00534 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
VNN1 O95497 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL2808053 0.89 TACR1 (0.41) CCNA2CDK2CCNA1AURKA
SCHEMBL2805905 0.88 CTSB (0.39) ALDH1A1VNN1PRKCQCYP1A2CYP3A4
SCHEMBL2807906 0.84 IDH1 (0.35) CCNA2CDK2CCNA1AURKAKDR
SCHEMBL2802918 0.84 AXL (0.45) IGF1RVNN1CDK1
SCHEMBL2803835 0.83 DYRK1A (0.36) KDRPLK1INSRCLK4
SCHEMBL2802514 0.81 KDR (0.40) CCNA2CDK2KDRNTRK1IGF1R
SCHEMBL2804032 0.81 HPGD (0.40) KDRIGF1RPRKCQ
SCHEMBL2806912 0.81 HTR7 (0.36) KDRCASRALDH1A1PLK1INSR
SCHEMBL2803621 0.80 SIGMAR1 (0.46) KDRGAAALDH1A1KDM4EMAPT
SCHEMBL2807852 0.80 HDAC3 (0.42) KDRCDK9CLK4

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 CCNA2 104/4885CDK2 43/4885CCNA1 168/4885

“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.