Sugi Predict

Sugi Predict / Compounds / SCHEMBL2491047

SCHEMBL2491047

SCHEMBL2491047

O=[N+]([O-])c1ccc2c(c1)-c1c(cnc3[nH]ncc13)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ NOS1 P29475 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ TYMS P04818 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ PNMT P11086 1/20 0.37
▸ ILK Q13418 1/20 0.37
▸ XDH P47989 1/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ TDP2 O95551 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
SCHEMBL2802835 0.90 TYMS (0.49) MAPTNOS1CYP3A4LMNAALOX15
SCHEMBL2486697 0.78 CHEK2 (0.44) NOS1TYMSTDP1PARP1IDO1
SCHEMBL2489698 0.75 TYMS (0.46) MAPTTYMSHTT
SCHEMBL2511927 0.70 NFKB1 (0.47) MAPTLMNAPOLBMAOBTYMS
SCHEMBL2487133 0.69 BRD4 (0.43) MAPTLMNAPOLBHTTGAA
SCHEMBL2490172 0.69 CDK9 (0.54) LMNAADRA2AXDHCDK2CCNA2
SCHEMBL2484310 0.68 XDH (0.35) LMNAXDHCDK2CCNE1
SCHEMBL2484446 0.68 HSP90AA1 (0.48) MAPTLMNAPOLBTDP1XDH
SCHEMBL16559365 0.67 MAPT (0.61) MAPTCYP3A4LMNATDP1GAA
SCHEMBL2491370 0.67 TYMS (0.42) MAPTLMNATYMSGAA

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 MAPT 3332/4885NOS1 1723/4885CYP3A4 811/4885

“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.