Sugi Predict

Sugi Predict / Compounds / SCHEMBL2483733

SCHEMBL2483733

SCHEMBL2483733

CC(C)(C)OC(=O)N1CC=C(c2n[nH]c3ncc4c(c23)CCN(C(=O)Nc2ccccc2)C4)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 11/20 0.58
▸ LIMK1 P53667 3/20 0.46
▸ LIMK2 P53671 3/20 0.46
▸ CDK9 P50750 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ GRM1 Q13255 1/20 0.42
▸ THRB P10828 1/20 0.41

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
SCHEMBL12316013 0.82 NAMPT (0.52) NAMPTLIMK1LIMK2NPC1ALDH1A1
SCHEMBL2487772 0.81 CKS1B (0.46) NAMPT
Hydrochloric Acid SCHEMBL2513170 0.81 NAMPT (0.52) NAMPTLIMK1LIMK2NPC1ALDH1A1
SCHEMBL2512524 0.80 NPC1 (0.51) NAMPTNPC1ALDH1A1ALOX15TSHR
SCHEMBL2803749 0.79 THRB (0.53) NAMPTLIMK1LIMK2CDK9NPC1
SCHEMBL2488267 0.78 NPC1 (0.47) NAMPTLIMK1LIMK2NPC1ALDH1A1
SCHEMBL2803761 0.78 RAB9A (0.52) NAMPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2487072 0.78 PARP1 (0.45) NAMPT
SCHEMBL2486503 0.77 MKNK1 (0.41) NAMPT
SCHEMBL2809552 0.76 RAB9A (0.44) NAMPTLIMK1LIMK2NPC1ALDH1A1

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 NAMPT 212/4885LIMK1 3234/4885LIMK2 2288/4885

“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.