Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802884

SCHEMBL2802884

SCHEMBL2802884

c1cncc(CNc2ncc3c(n2)CCc2cnc4[nH]ncc4c2-3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.47
▸ CLK1 P49759 4/20 0.47
▸ DYRK1A Q13627 4/20 0.47
▸ CLK4 Q9HAZ1 4/20 0.47
▸ CLK2 P49760 3/20 0.47
▸ DYRK1B Q9Y463 3/20 0.47
▸ CLK3 P49761 1/20 0.47
▸ CCNA2 P20248 3/20 0.45
▸ CCNA1 P78396 2/20 0.45
▸ AURKA O14965 1/20 0.45
▸ CYP2C19 P33261 1/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ EIF2AK2 P19525 1/20 0.40
▸ PLK1 P53350 2/20 0.39
▸ IGF1R P08069 2/20 0.39
▸ BCL6 P41182 1/20 0.39
▸ VNN1 O95497 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL2805133 0.84 RPS6KB1 (0.52) CLK1DYRK1ACYP2C19
SCHEMBL2803843 0.83 CCNA2 (0.42) CDK2CCNA2IGF1RVNN1HDAC1
SCHEMBL2805552 0.82 CCNA2 (0.44) CDK2CCNA2CCNA1AURKAIGF1R
SCHEMBL2807050 0.82 TDO2 (0.48) CLK1DYRK1AIGF1RVNN1HDAC1
SCHEMBL2806333 0.82 RPS6KB1 (0.54) CDK2CCNA2CCNA1AURKAIGF1R
SCHEMBL2802228 0.82 AKT1 (0.38) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL2804059 0.81 DYRK1A (0.48) CLK1DYRK1ACLK4CLK2DYRK1B
SCHEMBL2804807 0.81 SLC29A1 (0.42) CDK2CCNA2IGF1R
SCHEMBL2803917 0.80 ALDH1A1 (0.42) CDK2DYRK1ACLK2CCNA2CYP2C19
SCHEMBL2802889 0.78 RPS6KB1 (0.43) CDK2CCNA2ADORA1IGF1RHDAC1

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 46/4885CLK1 3495/4885DYRK1A 3030/4885

“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.