Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804680

SCHEMBL2804680

SCHEMBL2804680

OCCc1cccc(Nc2ncc3c(n2)-c2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 4/20 0.54
▸ FGFR2 P21802 2/20 0.54
▸ CSF1R P07333 1/20 0.54
▸ FGFR3 P22607 1/20 0.54
▸ PLK1 P53350 5/20 0.40
▸ KDR P35968 5/20 0.40
▸ PDGFRB P09619 3/20 0.40
▸ KIT P10721 2/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ PLK3 Q9H4B4 1/20 0.40
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ INSR P06213 1/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ ABL1 P00519 3/20 0.37
▸ EGFR P00533 2/20 0.36
▸ SRC P12931 2/20 0.36
▸ PDGFRA P16234 2/20 0.36
▸ MAPK14 Q16539 2/20 0.36

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
SCHEMBL2489995 0.92 FGFR1 (0.45) FGFR1FGFR2CSF1RFGFR3PLK1
SCHEMBL2491788 0.92 FGFR1 (0.45) FGFR1FGFR2CSF1RFGFR3PLK1
SCHEMBL2806802 0.92 FGFR1 (0.45) FGFR1FGFR2CSF1RFGFR3PLK1
SCHEMBL13273845 0.88 FGFR1 (0.53) FGFR1FGFR2CSF1RFGFR3PLK1
Hydrochloric Acid SCHEMBL2488788 0.88 FGFR1 (0.52) FGFR1FGFR2CSF1RFGFR3PLK1
SCHEMBL13273728 0.88 FGFR1 (0.51) FGFR1FGFR2CSF1RFGFR3PLK1
Hydrochloric Acid SCHEMBL2488790 0.88 FGFR1 (0.52) FGFR1FGFR2CSF1RFGFR3PLK1
SCHEMBL2490169 0.87 FGFR1 (0.50) FGFR1FGFR2CSF1RFGFR3PLK1
SCHEMBL2806446 0.87 FGFR1 (0.50) FGFR1FGFR2CSF1RFGFR3PLK1
SCHEMBL2490173 0.87 FGFR1 (0.50) FGFR1FGFR2CSF1RFGFR3PLK1

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

“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.