Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802835

SCHEMBL2802835

SCHEMBL2802835

O=[N+]([O-])c1ccc2c(c1)CCc1cnc3[nH]ncc3c1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.49
▸ MAPT P10636 4/20 0.47
▸ NOS1 P29475 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ TDP2 O95551 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ CDK2 P24941 4/20 0.37
▸ CCNT1 O60563 3/20 0.37
▸ CDK1 P06493 3/20 0.37
▸ CCNB1 P14635 3/20 0.37
▸ CCNE1 P24864 3/20 0.37
▸ CDK7 P50613 3/20 0.37
▸ CDK9 P50750 3/20 0.37
▸ CCNH P51946 3/20 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
SCHEMBL2491047 0.90 MAPT (0.47) TYMSMAPTNOS1CYP3A4LMNA
SCHEMBL2487665 0.75 KDM4E (0.51) MAPTHTTMEN1RAB9AKMT2A
SCHEMBL2484310 0.71 XDH (0.35) LMNACDK2CCNE1RAB9AXDH
SCHEMBL2486697 0.70 CHEK2 (0.44) TYMSNOS1TDP1PARP1
SCHEMBL2511927 0.70 NFKB1 (0.47) TYMSMAPTLMNAPOLBMAOB
SCHEMBL2487133 0.69 BRD4 (0.43) MAPTLMNAPOLBHTTMEN1
SCHEMBL2490172 0.69 CDK9 (0.54) LMNACDK2CCNT1CDK7CDK9
SCHEMBL2484446 0.68 HSP90AA1 (0.48) MAPTLMNAPOLBTDP1CDK2
SCHEMBL2489698 0.68 TYMS (0.46) TYMSMAPTHTT
SCHEMBL19101365 0.67 TYMS (0.50) TYMSMAPTCYP3A4LMNATDP2

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 7 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
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

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 TYMS 670/4885MAPT 3332/4885NOS1 1723/4885

“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.