Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802252

SCHEMBL2802252

SCHEMBL2802252

O=C(NCc1ccccc1)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ DRD4 P21917 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNE1 P24864 1/20 0.38

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
SCHEMBL2802722 0.90 EPHX2 (0.49) EPHX1ROCK2ROCK1HTR1ADRD2
SCHEMBL2807913 0.87 NPC1 (0.42) HPGDMAPK1ROCK2MAPTTRPV1
SCHEMBL2808042 0.86 ROCK2 (0.47) ROCK2ROCK1LMNA
SCHEMBL2802692 0.86 MAPK1 (0.46) EPHX1MAPK1ROCK2ROCK1TP53
SCHEMBL2488057 0.85 FLT3 (0.46) EPHX1EPHX2TRPV1
SCHEMBL2484008 0.84 GRIN2B (0.53) ROCK2ROCK1DRD2DRD3LMNA
SCHEMBL2834357 0.82 ALDH1A1 (0.40) EPHX1DRD4MAPK1DRD2DRD3
SCHEMBL2489824 0.82 MTNR1A (0.47) ROCK2ROCK1CCNB2CCNE2CDK1
SCHEMBL2805664 0.81 EPHX1 (0.51) EPHX1ROCK2ROCK1TP53EPHX2
SCHEMBL2803078 0.81 FLT3 (0.46) EPHX1MAPK1ROCK2CCNB2CCNE2

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 7 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
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

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 EPHX1 1292/4885HPGD 87/4885DRD4 1689/4885

“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.