SCHEMBL2808631

SCHEMBL2808631

COCCN1CCN(Cc2cccc(Nc3ncc4c(n3)-c3ccccc3[C@H](c3ccccc3F)C4)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.73
FGFR1 P11362 1/20 0.73
FGFR2 P21802 1/20 0.73
FGFR3 P22607 1/20 0.73
PLK1 P53350 1/20 0.47
AXL P30530 3/20 0.46
MERTK Q12866 1/20 0.46
CDK2 P24941 7/20 0.44
AURKA O14965 2/20 0.44
CCNA2 P20248 2/20 0.43
CCNA1 P78396 2/20 0.43
CDK1 P06493 1/20 0.41
KDR P35968 1/20 0.41
INSR P06213 1/20 0.40
MET P08581 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
CDK9 P50750 3/20 0.40
MEN1 O00255 1/20 0.40

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
Hydrochloric Acid SCHEMBL2805593 0.99 CSF1R (0.72) CSF1RFGFR1FGFR2FGFR3PLK1
Hydrochloric Acid SCHEMBL2488115 0.99 CSF1R (0.72) CSF1RFGFR1FGFR2FGFR3PLK1
SCHEMBL2489609 0.94 CSF1R (0.78) CSF1RFGFR1FGFR2FGFR3PLK1
SCHEMBL2489606 0.94 CSF1R (0.78) CSF1RFGFR1FGFR2FGFR3PLK1
SCHEMBL2806250 0.94 CSF1R (0.78) CSF1RFGFR1FGFR2FGFR3PLK1
Hydrochloric Acid SCHEMBL30446585 0.93 CSF1R (0.76) CSF1RFGFR1FGFR2FGFR3PLK1
Hydrochloric Acid SCHEMBL2806567 0.93 CSF1R (0.76) CSF1RFGFR1FGFR2FGFR3PLK1
Hydrochloric Acid SCHEMBL2806569 0.93 CSF1R (0.76) CSF1RFGFR1FGFR2FGFR3PLK1
SCHEMBL19012094 0.88 FGFR1 (0.86) CSF1RFGFR1FGFR2FGFR3PLK1
SCHEMBL13273913 0.87 CSF1R (0.65) CSF1RFGFR1FGFR2FGFR3AXL

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 CSF1R 4606/4885FGFR1 530/4885FGFR2 511/4885

“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.