Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802805

SCHEMBL2802805

SCHEMBL2802805

O=C(Nc1ccc(C2Cc3cnc(Nc4ccc(CCO)cc4)nc3-c3ccccc32)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.45
▸ CYP3A4 P08684 4/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ FGFR1 P11362 2/20 0.43
▸ FGFR2 P21802 2/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ AURKA O14965 3/20 0.41
▸ STAT6 P42226 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ IKBKB O14920 2/20 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
SCHEMBL2805227 0.90 FGFR1 (0.54) FGFR1FGFR2CSF1RFGFR3CDK1
SCHEMBL2802896 0.90 FGFR1 (0.54) FGFR1FGFR2CSF1RFGFR3CDK1
SCHEMBL2802789 0.86 CCNA2 (0.48) FGFR1FGFR2CSF1RFGFR3CDK1
SCHEMBL2489914 0.86 CCNA2 (0.48) FGFR1FGFR2CSF1RFGFR3CDK1
SCHEMBL2802728 0.86 CCNA2 (0.48) FGFR1FGFR2CSF1RFGFR3CDK1
SCHEMBL2807908 0.86 FGFR1 (0.50) FGFR1FGFR2CSF1RFGFR3CDK1
SCHEMBL2802708 0.86 FGFR1 (0.49) CYP1A2CYP3A4FGFR1FGFR2CSF1R
SCHEMBL2804465 0.84 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19GAAFGFR1
SCHEMBL2807809 0.82 FGFR1 (0.51) FGFR1FGFR2CSF1RFGFR3CDK1
SCHEMBL2489980 0.82 FGFR1 (0.51) FGFR1FGFR2CSF1RFGFR3CDK1

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 CYP1A2 612/4885CYP3A4 1058/4885CYP2C19 744/4885

“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.