Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803078

SCHEMBL2803078

SCHEMBL2803078

O=C(NCC1CCCCC1)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.46
▸ EPHX1 P07099 4/20 0.45
▸ ROCK2 O75116 1/20 0.38
▸ JAK3 P52333 2/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ KDR P35968 1/20 0.35
▸ CDK2 P24941 2/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ PAK1 Q13153 3/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL2834357 0.83 ALDH1A1 (0.40) EPHX1MAPK1PAK1
SCHEMBL12338144 0.82 PAK1 (0.37) FLT3JAK3MAPK1CDK2CCNB2
SCHEMBL2802252 0.81 EPHX1 (0.47) EPHX1ROCK2MAPK1CDK2CCNB2
SCHEMBL2802722 0.79 EPHX2 (0.49) EPHX1ROCK2
SCHEMBL2806061 0.79 PDE4B (0.42) FLT3MAPK1CDK2PAK1
SCHEMBL12338145 0.79 MTNR1A (0.47) FLT3JAK3MAPK1CDK2HPGDS
SCHEMBL2805664 0.78 EPHX1 (0.51) EPHX1ROCK2PAK1
SCHEMBL2807913 0.78 NPC1 (0.42) ROCK2MAPK1PAK1
SCHEMBL2488057 0.77 FLT3 (0.46) FLT3EPHX1PAK1
SCHEMBL2802692 0.77 MAPK1 (0.46) EPHX1ROCK2MAPK1PAK1

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 FLT3 1163/4885EPHX1 1292/4885ROCK2 1391/4885

“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.