SCHEMBL2805673

SCHEMBL2805673

CN(C)CCCCNc1ncc2c(n1)-c1ccccc1C(c1ccc(NC(=O)Nc3ccccc3Oc3ccccc3)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.40
CACNA1H O95180 2/20 0.39
CACNA1B Q00975 1/20 0.39
DGAT1 O75907 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
FGFR1 P11362 4/20 0.36
EGFR P00533 1/20 0.36
FGFR2 P21802 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
P2RY1 P47900 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL2803447 0.89 FGFR1 (0.39) IGF1RHRH3FGFR1EGFRFGFR2
SCHEMBL2805358 0.88 FGFR1 (0.42) FGFR1EGFRFGFR2KDM4EALDH1A1
SCHEMBL2805255 0.88 FGFR1 (0.44) HRH3FGFR1EGFRFGFR2KDM4E
SCHEMBL2802460 0.88 FGFR1 (0.39) FGFR1EGFRFGFR2KDM4EALDH1A1
SCHEMBL2805009 0.86 FGFR1 (0.41) FGFR1EGFRFGFR2GAA
SCHEMBL2804236 0.84 FGFR1 (0.38) FGFR1EGFRFGFR2CA12CA1
SCHEMBL2803216 0.84 NPC1 (0.42) FGFR1EGFRFGFR2KDM4EALDH1A1
SCHEMBL16360137 0.83 FGFR1 (0.40) FGFR1EGFRFGFR2KDM4EALDH1A1
SCHEMBL13273853 0.83 FGFR1 (0.36) FGFR1EGFRFGFR2POLB
SCHEMBL2804284 0.83 FGFR1 (0.44) FGFR1EGFRFGFR2

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
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

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 IGF1R 2484/4885CACNA1H 4329/4885CACNA1B 2719/4885

“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.