Sugi Predict

Sugi Predict / Compounds / SCHEMBL4810799

SCHEMBL4810799

SCHEMBL4810799

CN(C)Cc1cccc(-c2[nH]c3cc(C(N)=O)cc4c3c2C=NNC4=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.44
▸ CHUK O15111 2/20 0.43
▸ INSR P06213 2/20 0.43
▸ MAPK8 P45983 2/20 0.43
▸ CAMKK2 Q96RR4 2/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ AURKA O14965 2/20 0.39
▸ MAP2K5 Q13163 2/20 0.39
▸ BMPR1B O00238 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CIT O14578 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ GAK O14976 1/20 0.39
▸ EPHB6 O15197 1/20 0.39
▸ RPS6KA4 O75676 1/20 0.39
▸ LATS1 O95835 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 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
Hydrochloric Acid SCHEMBL6105009 0.99 PARP1 (0.44) PARP1CHUKINSRMAPK8CAMKK2
SCHEMBL4776187 0.87 PARP1 (0.47) PARP1CHUKINSRMAPK8CAMKK2
SCHEMBL4776804 0.83 PARP1 (0.44) PARP1PARP2AURKAMAP2K5BMPR1B
SCHEMBL4962773 0.77 AURKA (0.47) PARP1CHUKINSRMAPK8CAMKK2
SCHEMBL5860874 0.76 LCK (0.56) PARP1PARP2AURKAMAP2K5BMPR1B
SCHEMBL4775292 0.76 PARP1 (0.46) PARP1CHUKPARP2AURKAMAP2K5
SCHEMBL4778623 0.76 AURKA (0.42) PARP1PARP2AURKAMAP2K5BMPR1B
SCHEMBL4821015 0.75 PARP1 (0.45) PARP1MAPK8PARP2AURKAMAP2K5
SCHEMBL13987164 0.74 PARP1 (0.43) PARP1MAPK8PARP2AURKAMAP2K5
SCHEMBL4780114 0.73 PARP1 (0.46) PARP1PARP2AURKAMAP2K5BMPR1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 — — US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 — — US disclosed
US-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2006-01-05 — — US 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 (2 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-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK1, CHEK2, CHKA PARP1 619/4885CHUK 99/4885INSR 2103/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA PARP1 582/4885CHUK 77/4885INSR 2343/4885

“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.