Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802779

SCHEMBL2802779

SCHEMBL2802779

Cc1cc2cc(Nc3ncc4c(n3)-c3ccccc3C(c3ccc(Cl)cc3)C4)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ FGFR1 P11362 2/20 0.43
▸ FGFR2 P21802 2/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ EGFR P00533 2/20 0.39
▸ PLK1 P53350 5/20 0.38
▸ INSR P06213 1/20 0.38
▸ SYK P43405 1/20 0.37

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
SCHEMBL2803788 0.93 KDR (0.53) KDRCDK1FGFR1FGFR2CSF1R
SCHEMBL2803823 0.90 KDR (0.49) KDRCDK1FGFR1FGFR2CSF1R
SCHEMBL13126212 0.86 WEE1 (0.46) KDRCDK1FGFR1FGFR2CSF1R
SCHEMBL2805401 0.85 FGFR1 (0.49) KDRCDK1FGFR1FGFR2CSF1R
SCHEMBL2808076 0.82 CCNA2 (0.56) KDRFGFR1FGFR2CSF1RFGFR3
SCHEMBL2802868 0.78 FGFR1 (0.52) KDRFGFR1FGFR2CSF1RFGFR3
SCHEMBL2804150 0.77 FGFR1 (0.46) KDRFGFR1FGFR2CSF1RFGFR3
SCHEMBL2802728 0.77 CCNA2 (0.48) KDRCDK1FGFR1FGFR2CSF1R
SCHEMBL2489914 0.77 CCNA2 (0.48) KDRCDK1FGFR1FGFR2CSF1R
SCHEMBL2802789 0.77 CCNA2 (0.48) KDRCDK1FGFR1FGFR2CSF1R

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 8 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
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 KDR 1416/4885CDK1 318/4885FGFR1 530/4885

“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.