Sugi Predict

Sugi Predict / Compounds / SCHEMBL2486063

SCHEMBL2486063

SCHEMBL2486063

O=C(C(Cl)c1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ PDGFRB P09619 3/20 0.35
▸ KDR P35968 2/20 0.35
▸ PAK1 Q13153 3/20 0.35
▸ GPX4 P36969 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HCRTR2 O43614 1/20 0.33
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL2803958 0.88 ROCK2 (0.50) ROCK2CYP3A4PDGFRBKDRAKT1
SCHEMBL2487744 0.84 ALDH1A1 (0.41) ROCK2CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL12315754 0.83 ALDH1A1 (0.34) ROCK2CYP3A4PDGFRBKDRALDH1A1
SCHEMBL2490206 0.82 HCRTR2 (0.40) ALDH1A1KDM4EAKT1LMNACCNE2
Trifluoroacetic Acid SCHEMBL2487366 0.82 ROCK2 (0.46) ROCK2CYP3A4AKT1
SCHEMBL2488481 0.82 ROCK2 (0.36) ROCK2CYP3A4ALDH1A1LMNACASP1
SCHEMBL2486524 0.82 LMNA (0.42) ROCK2CYP3A4PDGFRBKDRPAK1
SCHEMBL2485132 0.81 PTGS1 (0.45) PDGFRBKDRPAK1LMNACCNE2
SCHEMBL2490038 0.81 FNTA (0.44) PDGFRBPAK1ALDH1A1LMNAMAPT
SCHEMBL12338765 0.81 NLN (0.34) ALDH1A1KDM4ETSHRHSD17B10HCRTR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
EP-2379551-A1 SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 — — EP disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — WO disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 ROCK2 1391/4885CYP3A4 811/4885PDGFRB 1363/4885

“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.