SCHEMBL2803447

SCHEMBL2803447

CN(C)CCCCNc1ncc2c(n1)-c1ccccc1C(c1ccc(NC(=O)Nc3ccccc3-c3ccccc3)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.39
FGFR2 P21802 2/20 0.39
MERTK Q12866 1/20 0.39
EGFR P00533 1/20 0.38
NTRK1 P04629 1/20 0.38
ADORA1 P30542 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TERT O14746 1/20 0.34
IGF1R P08069 1/20 0.34
CSF1R P07333 1/20 0.34
FGFR3 P22607 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2805358 0.91 FGFR1 (0.42) FGFR1FGFR2MERTKEGFRALDH1A1
SCHEMBL2802460 0.89 FGFR1 (0.39) FGFR1FGFR2MERTKEGFRALDH1A1
SCHEMBL2805009 0.89 FGFR1 (0.41) FGFR1FGFR2MERTKEGFRCSF1R
SCHEMBL2805673 0.89 IGF1R (0.40) FGFR1FGFR2EGFRCA12CA1
SCHEMBL2805255 0.88 FGFR1 (0.44) FGFR1FGFR2MERTKEGFRALDH1A1
SCHEMBL2804236 0.87 FGFR1 (0.38) FGFR1FGFR2MERTKEGFRNTRK1
SCHEMBL16360137 0.86 FGFR1 (0.40) FGFR1FGFR2MERTKEGFRALDH1A1
SCHEMBL2804284 0.86 FGFR1 (0.44) FGFR1FGFR2MERTKEGFRCSF1R
SCHEMBL2803216 0.85 NPC1 (0.42) FGFR1FGFR2EGFRALDH1A1KDM4E
SCHEMBL2804914 0.85 FGFR1 (0.45) FGFR1FGFR2MERTKEGFRCSF1R

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 5 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

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 511/4885MERTK 3268/4885

“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.