Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805664

SCHEMBL2805664

SCHEMBL2805664

O=C(NCCc1ccc(Cl)cc1)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 3/20 0.51
▸ ROCK2 O75116 2/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PAK1 Q13153 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36

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 0.91 EPHX2 (0.49) EPHX1ROCK2ROCK1RAB9ANPC1
SCHEMBL2806628 0.88 ROCK2 (0.47) EPHX1ROCK2ROCK1CYP1A2CYP2D6
SCHEMBL2803044 0.84 KMT2A (0.55) EPHX1KMT2ACNR1TSHRSMN1; SMN2
SCHEMBL2834357 0.83 ALDH1A1 (0.40) EPHX1PAK1KDM4EALDH1A1
SCHEMBL2802692 0.83 MAPK1 (0.46) EPHX1ROCK2ROCK1TP53TSHR
SCHEMBL2806964 0.82 HSD11B1 (0.37) ROCK2ROCK1CYP1A2CYP2D6L3MBTL1
SCHEMBL2802252 0.81 EPHX1 (0.47) EPHX1ROCK2ROCK1TP53EPHX2
SCHEMBL2807913 0.80 NPC1 (0.42) ROCK2CYP1A2RAB9ANPC1KMT2A
SCHEMBL2803078 0.78 FLT3 (0.46) EPHX1ROCK2PAK1
SCHEMBL12338144 0.78 PAK1 (0.37) PAK1

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 1292/4885ROCK2 1391/4885ROCK1 1929/4885

“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.