Sugi Predict

Sugi Predict / Compounds / SCHEMBL2801997

SCHEMBL2801997

SCHEMBL2801997

c1nc2[nH]ncc2c2c1CCc1nc(NCC3CCCCCC3)ncc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ CDK2 P24941 4/20 0.37
▸ CDC7 O00311 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ RET P07949 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ HIPK2 Q9H2X6 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ FLT3 P36888 1/20 0.34
▸ JAK3 P52333 3/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ CCNA2 P20248 1/20 0.32

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
SCHEMBL2486661 0.78 CCNA2 (0.38) CDK2RETCCNA2
SCHEMBL2805205 0.78 CCNA2 (0.45) CDK2CCNA2
SCHEMBL2804850 0.78 CCNA2 (0.41) CDK2CCNA2
SCHEMBL2803971 0.77 HRH2 (0.39) CDK2CCNA2
SCHEMBL2803843 0.77 CCNA2 (0.42) CDK2CCNA2MAPK1
SCHEMBL2805552 0.76 CCNA2 (0.44) IDO1TDO2CDK2CCNA2ALDH1A1
SCHEMBL2802228 0.75 AKT1 (0.38) CDK2CCNA2MEN1KMT2A
SCHEMBL2803917 0.75 ALDH1A1 (0.42) CDK2CDK1ROCK2MAP4K4PRKACA
SCHEMBL2802884 0.75 CDK2 (0.47) CDK2CCNA2
SCHEMBL2806925 0.74 RPS6KB1 (0.39) CDK2CCNA2PRKCQ

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 IDO1 259/4885TDO2 2157/4885CDK2 46/4885

“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.