SCHEMBL2806406

SCHEMBL2806406

CN1CCN(CCc2ccc(Nc3ncc4c(n3)-c3ccccc3[C@H](c3ccc(Cl)c(Cl)c3)C4)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.55
KDR P35968 8/20 0.55
AXL P30530 8/20 0.47
FGFR1 P11362 2/20 0.44
CSF1R P07333 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
JAK2 O60674 1/20 0.42
IGF1R P08069 1/20 0.42
AURKB Q96GD4 1/20 0.42
ALK Q9UM73 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
RET P07949 1/20 0.42

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
SCHEMBL2488787 1.00 CDK1 (0.55) CDK1KDRAXLFGFR1CSF1R
Hydrochloric Acid SCHEMBL2807855 0.99 CDK1 (0.54) CDK1KDRAXLFGFR1CSF1R
Hydrochloric Acid SCHEMBL2807851 0.99 CDK1 (0.54) CDK1KDRAXLFGFR1CSF1R
SCHEMBL2804649 0.94 CDK1 (0.49) CDK1KDRAXLFGFR1CSF1R
SCHEMBL2490000 0.94 CDK1 (0.49) CDK1KDRAXLFGFR1CSF1R
SCHEMBL2488857 0.94 CDK1 (0.49) CDK1KDRAXLFGFR1CSF1R
SCHEMBL2488140 0.93 FGFR1 (0.50) CDK1KDRAXLFGFR1CSF1R
SCHEMBL2802854 0.93 FGFR1 (0.50) CDK1KDRAXLFGFR1CSF1R
Hydrochloric Acid SCHEMBL2802718 0.92 FGFR1 (0.49) CDK1KDRAXLFGFR1CSF1R
Hydrochloric Acid SCHEMBL2802725 0.92 FGFR1 (0.49) CDK1KDRAXLFGFR1CSF1R

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 CDK1 318/4885KDR 1416/4885AXL 3180/4885

“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.