Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802842

SCHEMBL2802842

SCHEMBL2802842

CC(C)(C)OC(=O)N1CCC(Nc2ncc3c(n2)-c2ccccc2C(c2ccc(Cl)cc2)C3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ MAPK8 P45983 7/20 0.46
▸ MAPK9 P45984 7/20 0.46
▸ MAPK10 P53779 5/20 0.46
▸ FNTA P49354 2/20 0.44
▸ FNTB P49356 2/20 0.44
▸ CDK2 P24941 7/20 0.44
▸ JUN P05412 6/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ IDH1 O75874 1/20 0.42
▸ IDH2 P48735 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42

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
SCHEMBL2802720 0.93 FGFR1 (0.48) CNR1CNR2MAPK8MAPK9MAPK10
SCHEMBL2488139 0.91 MAPK8 (0.46) CNR1CNR2MAPK8MAPK9MAPK10
SCHEMBL2808304 0.91 MAPK8 (0.51) CNR1CNR2MAPK8MAPK9MAPK10
SCHEMBL2802914 0.83 FGFR1 (0.44) MAPK8MAPK9MAPK10CDK2JUN
SCHEMBL2493170 0.82 MAPK1 (0.45) MAPK8MAPK9MAPK10FNTAFNTB
SCHEMBL2492524 0.82 MAPK1 (0.45) MAPK8MAPK9MAPK10FNTAFNTB
SCHEMBL2492527 0.82 MAPK1 (0.45) MAPK8MAPK9MAPK10FNTAFNTB
SCHEMBL2493168 0.82 MAPK1 (0.45) MAPK8MAPK9MAPK10FNTAFNTB
SCHEMBL2492528 0.82 MAPK1 (0.45) MAPK8MAPK9MAPK10FNTAFNTB
SCHEMBL2804795 0.82 FGFR1 (0.51) MAPK8MAPK9MAPK10CDK2ALDH1A1

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 8 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
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 CNR1 1384/4885CNR2 836/4885MAPK8 2998/4885

“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.