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Sugi Predict / Compounds / SCHEMBL2805099

SCHEMBL2805099

SCHEMBL2805099

Cc1cccc(C(=O)Nc2ccc(C3Cc4cnc(NCCCCN(C)C)nc4-c4ccccc43)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ LCK P06239 2/20 0.38
▸ INSR P06213 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ IGF1R P08069 2/20 0.37
▸ FGFR1 P11362 2/20 0.37
▸ FGFR2 P21802 2/20 0.37
▸ CSF1R P07333 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
SCHEMBL17057567 0.92 MAPT (0.41) CYP1A2CYP3A4CYP2C19KDM4ELMNA
SCHEMBL2807926 0.89 CYP1A2 (0.46) CYP1A2CYP3A4KDM4EHTTLCK
SCHEMBL2802870 0.87 SIRT2 (0.39) KDRNAMPTFGFR1FGFR2CSF1R
SCHEMBL2803988 0.87 CSF1R (0.41) LCKKDRNAMPTIGF1RFGFR1
SCHEMBL2805009 0.86 FGFR1 (0.41) CYP1A2CYP3A4CYP2C19LCKKDR
SCHEMBL16360137 0.86 FGFR1 (0.40) KDM4ELMNAPOLBMAPTHTT
SCHEMBL2802602 0.86 ABL1 (0.42) KDM4ELMNAHPGDLCKSRC
SCHEMBL2802594 0.85 FGFR1 (0.40) CYP1A2CYP3A4CYP2C19KDM4ELMNA
SCHEMBL2802460 0.85 FGFR1 (0.39) CYP1A2CYP3A4KDM4EHTTNAMPT
SCHEMBL2804758 0.85 MEN1 (0.39) KDM4ELMNAPOLBMAPTNAMPT

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 6 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
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.