Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805678

SCHEMBL2805678

SCHEMBL2805678

CN(Cc1ccccc1)c1ncc2c(n1)CCc1cnc3[nH]ncc3c1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 3/20 0.48
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ DHFR P00374 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ CSF1R P07333 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ SLC29A1 Q99808 1/20 0.34
▸ PDE9A O76083 2/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ EHMT1 Q9H9B1 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CCNE2 O96020 1/20 0.33

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
SCHEMBL2804807 0.76 SLC29A1 (0.42) RPS6KB1ROCK2ROCK1LMNACDK2
SCHEMBL2803986 0.75 LMNA (0.57) ROCK2ROCK1LMNAHTT
SCHEMBL2802227 0.73 TSHR (0.42) LMNAHTT
SCHEMBL2486661 0.73 CCNA2 (0.38) CDK2CCNA2
SCHEMBL2802884 0.72 CDK2 (0.47) CDK2CCNA2
SCHEMBL2510584 0.72 CDK2 (0.41) CDK2CCNA2
SCHEMBL1622742 0.72 HTR2C (0.59) —
SCHEMBL2806420 0.71 CDK2 (0.39) RPS6KB1CDK2CCNA2SLC29A1CCNE2
Hydrochloric Acid SCHEMBL1623490 0.71 HTR2C (0.57) —
SCHEMBL2806333 0.71 RPS6KB1 (0.54) RPS6KB1ROCK2ROCK1CDK2CCNA2

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 RPS6KB1 1992/4885ROCK2 1391/4885ROCK1 1929/4885

“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.