SCHEMBL2806420

SCHEMBL2806420

c1ccc(OCCNc2ncc3c(n2)CCc2cnc4[nH]ncc4c2-3)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.39
CCNA2 P20248 4/20 0.39
HTR7 P34969 7/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RPS6KB1 P23443 1/20 0.33
GBA1 P04062 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
SLC29A1 Q99808 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 0.84 SLC29A1 (0.42) CDK2CCNA2RPS6KB1SLC29A1
SCHEMBL2805552 0.80 CCNA2 (0.44) CDK2CCNA2KDM4EALDH1A1
SCHEMBL2806333 0.79 RPS6KB1 (0.54) CDK2CCNA2KDM4EMAPTALDH1A1
SCHEMBL2803917 0.79 ALDH1A1 (0.42) CDK2CCNA2ALDH1A1RPS6KB1
SCHEMBL2806925 0.78 RPS6KB1 (0.39) CDK2CCNA2HTR7MAPTRPS6KB1
SCHEMBL2805205 0.78 CCNA2 (0.45) CDK2CCNA2
SCHEMBL2802889 0.77 RPS6KB1 (0.43) CDK2CCNA2RPS6KB1SLC29A1
SCHEMBL2802884 0.77 CDK2 (0.47) CDK2CCNA2
SCHEMBL2803843 0.76 CCNA2 (0.42) CDK2CCNA2SMN1; SMN2MAPTRPS6KB1
SCHEMBL2486661 0.76 CCNA2 (0.38) CDK2CCNA2

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 CDK2 46/4885CCNA2 306/4885HTR7 1138/4885

“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.