Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804807

SCHEMBL2804807

SCHEMBL2804807

c1ccc(CCCNc2ncc3c(n2)CCc2cnc4[nH]ncc4c2-3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ CCNA2 P20248 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ IGF1R P08069 2/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.37
▸ AXL P30530 2/20 0.36
▸ TYRO3 Q06418 2/20 0.36
▸ MERTK Q12866 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PRKCQ Q04759 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ CTSC P53634 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34

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
SCHEMBL2806420 0.84 CDK2 (0.39) SLC29A1CCNA2CDK2RPS6KB1
SCHEMBL2806925 0.84 RPS6KB1 (0.39) SLC29A1CCNA2CDK2HRH1HRH4
SCHEMBL2802889 0.83 RPS6KB1 (0.43) SLC29A1CCNA2CDK2IGF1RROCK2
SCHEMBL2802884 0.81 CDK2 (0.47) CCNA2CDK2IGF1R
SCHEMBL2805552 0.80 CCNA2 (0.44) CCNA2CDK2IGF1R
SCHEMBL2804850 0.79 CCNA2 (0.41) CCNA2CDK2HRH1
SCHEMBL2806333 0.79 RPS6KB1 (0.54) HPGDCCNA2CDK2IGF1RROCK2
SCHEMBL2803917 0.79 ALDH1A1 (0.42) CCNA2CDK2IGF1RROCK2ROCK1
SCHEMBL2803843 0.78 CCNA2 (0.42) CCNA2CDK2IGF1RRPS6KB1LMNA
SCHEMBL2804099 0.78 CCNA2 (0.43) CCNA2CDK2AXLTYRO3MERTK

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 SLC29A1 1627/4885HPGD 87/4885CCNA2 306/4885

“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.