Sugi Predict

Sugi Predict / Compounds / SCHEMBL2490215

SCHEMBL2490215

SCHEMBL2490215

CNc1ncc2c(n1)CCc1cnc3c(cnn3Cc3ccc(OC)cc3)c1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ IGF1R P08069 2/20 0.41
▸ CNR2 P34972 3/20 0.39
▸ AURKA O14965 2/20 0.38
▸ AXL P30530 2/20 0.38
▸ MERTK Q12866 2/20 0.38
▸ RET P07949 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CCNA2 P20248 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CCNA1 P78396 2/20 0.37

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
SCHEMBL13125785 0.89 GAA (0.44) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2490576 0.85 ALDH1A1 (0.41) 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

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.