SCHEMBL2807886

SCHEMBL2807886

c1cncc(CCNc2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.40
MKNK2 Q9HBH9 3/20 0.40
OGA O60502 1/20 0.39
INSR P06213 1/20 0.38
IGF1R P08069 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
ROCK1 Q13464 1/20 0.35
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 2/20 0.35
CCNA2 P20248 4/20 0.35
CDK2 P24941 4/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2A P29274 1/20 0.34

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) MKNK1MKNK2IGF1RKDRROCK1
SCHEMBL2804032 0.86 HPGD (0.40) IGF1RKDRTYRO3HTR2C
SCHEMBL2802664 0.84 KDR (0.32) FGFR1KDRTYRO3ADRA2BADRA2C
SCHEMBL2802929 0.82 HDAC3 (0.41) INSRFGFR1KDRKDM4EADORA1
SCHEMBL2802006 0.82 HDAC3 (0.42) INSRKDRKDM4ENPC1RAB9A
SCHEMBL2805814 0.81 KDR (0.31) KDR
SCHEMBL2806912 0.80 HTR7 (0.36) INSRKDRHTR7HTR6
SCHEMBL2804916 0.80 CASR (0.40) INSRIGF1RKDRJAK2PTK2
SCHEMBL2803259 0.79 TSHR (0.39) CCNT1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL2804601 0.79 CCNA2 (0.39) CCNA2CDK2KDM4ENPC1RAB9A

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 MKNK1 2646/4885MKNK2 2184/4885OGA 2721/4885

“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.