Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804970

SCHEMBL2804970

SCHEMBL2804970

NC(=O)c1cccc(-c2n[nH]c3ncc4c(c23)CCNC4)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 2/20 0.47
▸ TTK P33981 2/20 0.47
▸ PIM1 P11309 3/20 0.44
▸ CCNT1 O60563 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CCNH P51946 1/20 0.42
▸ MNAT1 P51948 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ MAPK8 P45983 3/20 0.41
▸ FYN P06241 2/20 0.39
▸ STK3 Q13188 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ MAPK13 O15264 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL2490575 0.94 MAP2K4 (0.42) MAP2K4TTKPIM1CCNT1CCND1
SCHEMBL2805911 0.82 TTK (0.45) TTKMAPK8FYNCHEK1FGFR1
SCHEMBL12315721 0.81 HTR7 (0.49) KDRMAPK10HTR7
Hydrochloric Acid SCHEMBL2486184 0.80 HTR7 (0.48) KDRMAPK10HTR7
Trifluoroacetic Acid SCHEMBL2487211 0.77 TTK (0.41) TTKMAPK8FYNCHEK1FGFR1
SCHEMBL23917237 0.73 MAP2K4 (0.57) MAP2K4TTKPIM1CCNT1CCND1
SCHEMBL2807769 0.70 HTR7 (0.53) HTR7
Hydrochloric Acid SCHEMBL2487119 0.70 HTR7 (0.52) HTR7
SCHEMBL13273541 0.69 CD44 (0.36) FYNROCK2CHEK2PKN2PARP1
SCHEMBL12338159 0.69 CD44 (0.33) —

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 MAP2K4 2656/4885TTK 3440/4885PIM1 1002/4885

“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.