Sugi Predict

Sugi Predict / Compounds / SCHEMBL2490576

SCHEMBL2490576

SCHEMBL2490576

COc1ccc(Cn2ncc3c4c(cnc32)CCc2nc(SC)ncc2-4)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CCNA2 P20248 6/20 0.38
▸ CDK2 P24941 6/20 0.38
▸ SRC P12931 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ PDE1A P54750 2/20 0.37
▸ PDE1B Q01064 2/20 0.37
▸ PDE1C Q14123 2/20 0.37
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ NPBWR1 P48145 1/20 0.35
▸ MET P08581 1/20 0.35

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
SCHEMBL2490215 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2486938 0.83 ALDH1A1 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2804966 0.79 ALDH1A1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2806808 0.79 ALDH1A1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2803963 0.78 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2805918 0.78 MAPT (0.43) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2512329 0.77 ALDH1A1 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2488406 0.77 ALDH1A1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2803926 0.76 ALDH1A1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2804194 0.76 PDE1A (0.43) ALDH1A1LMNAMAPTSMN1; SMN2HPGD

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 460/4885LMNA 1591/4885MAPT 3332/4885

“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.