Sugi Predict

Sugi Predict / Compounds / SCHEMBL2487744

SCHEMBL2487744

SCHEMBL2487744

O=C(C(c1ccccc1)N1CCCCC1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ RET P07949 1/20 0.37
▸ ROCK2 O75116 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CCNE2 O96020 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 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
SCHEMBL2488177 0.85 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL2803958 0.84 ROCK2 (0.50) LMNAROCK2CYP3A4MAPT
SCHEMBL2486063 0.84 ROCK2 (0.37) ALDH1A1LMNATSHRROCK2CYP3A4
SCHEMBL2486524 0.83 LMNA (0.42) ALDH1A1GAALMNASMN1; SMN2TSHR
SCHEMBL2805666 0.81 SMYD2 (0.41) TSHRCYP3A4
SCHEMBL12315754 0.80 ALDH1A1 (0.34) ALDH1A1LMNATSHRROCK2CYP3A4
Trifluoroacetic Acid SCHEMBL2487366 0.79 ROCK2 (0.46) ROCK2CYP3A4
SCHEMBL2490206 0.79 HCRTR2 (0.40) ALDH1A1LMNAKMT2ACCNB2CCNE2
SCHEMBL2485132 0.78 PTGS1 (0.45) LMNACCNE2CCNE1CDK2HPGD
SCHEMBL2486602 0.77 RAB9A (0.55) ALDH1A1GAAKMT2ASMN1; SMN2MEN1

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 ALDH1A1 460/4885GAA 997/4885LMNA 1591/4885

“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.