SCHEMBL2802870

SCHEMBL2802870

CCCc1ccc(C(=O)Nc2ccc(C3Cc4cnc(NCCCCN(C)C)nc4-c4ccccc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 2/20 0.39
TRPV1 Q8NER1 4/20 0.39
NAMPT P43490 3/20 0.39
MERTK Q12866 5/20 0.39
TYRO3 Q06418 4/20 0.39
GAS6 Q14393 4/20 0.39
FLT3 P36888 3/20 0.39
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR3 P22607 2/20 0.38
CSF1R P07333 1/20 0.38
FGFR4 P22455 1/20 0.37
KDR P35968 1/20 0.37
MCHR1 Q99705 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
SCHEMBL2807926 0.91 CYP1A2 (0.46) NAMPTMERTKTYRO3GAS6FLT3
SCHEMBL2805099 0.87 CYP1A2 (0.40) NAMPTMERTKTYRO3GAS6FLT3
SCHEMBL2804758 0.87 MEN1 (0.39) NAMPTMERTKFGFR1FGFR2FGFR3
SCHEMBL16360137 0.86 FGFR1 (0.40) NAMPTMERTKFGFR1FGFR2FGFR3
SCHEMBL2802602 0.85 ABL1 (0.42) NAMPTMERTKTYRO3GAS6FLT3
SCHEMBL2803216 0.84 NPC1 (0.42) TRPV1FGFR1FGFR2
SCHEMBL2803988 0.84 CSF1R (0.41) NAMPTTYRO3FGFR1FGFR2FGFR3
SCHEMBL2802460 0.84 FGFR1 (0.39) NAMPTMERTKTYRO3FGFR1FGFR2
SCHEMBL2805009 0.84 FGFR1 (0.41) NAMPTMERTKFGFR1FGFR2FGFR3
SCHEMBL2805089 0.83 FGFR1 (0.41) NAMPTMERTKTYRO3GAS6FLT3

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 SIRT2 482/4885SIRT1 959/4885TRPV1 2378/4885

“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.