SCHEMBL2804165

SCHEMBL2804165

CN1CCC(N2CCC3(CC2)Cc2cnc(N)nc2-c2ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
OPRM1 P35372 3/20 0.34
OPRK1 P41145 3/20 0.34
OPRL1 P41146 3/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
HRH1 P35367 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
ACVR1 Q04771 1/20 0.33
HRH2 P25021 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL2808234 0.86 HRH3 (0.40) KDM4EALDH1A1POLBFGFR1FGFR2
SCHEMBL2803974 0.83 FGFR1 (0.37) KDM4EALDH1A1POLBFGFR1FGFR2
SCHEMBL2803911 0.79 HTR3A (0.35) ALDH1A1MAPTACVR1HRH4TP53
SCHEMBL2803020 0.77 HTR3A (0.38) ALDH1A1ACVR1HRH4TP53HPGD
SCHEMBL2804162 0.71 MAPK7 (0.47)
SCHEMBL2805406 0.67 SIGMAR1 (0.35) KDM4EALDH1A1OPRM1MAPTHPGD
SCHEMBL2808109 0.65 SIGMAR1 (0.51) OPRM1HTR2AHTR2CHTR2B
SCHEMBL2805142 0.65 HDAC1 (0.40) KDM4EALDH1A1HTTHRH3HPGD
SCHEMBL19150990 0.65 KDM4E (0.60) KDM4EALDH1A1POLBFGFR1FGFR2
SCHEMBL2806557 0.65 HDAC3 (0.42) KDM4EALDH1A1HRH3

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 3 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-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 KDM4E 679/4885ALDH1A1 510/4885POLB 667/4885

“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.