SCHEMBL4812283

SCHEMBL4812283

Nc1cc2c3c(c(CN4CCOCC4)[nH]c3c1)C=NNC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TYMP P19971 1/20 0.34
PARP1 P09874 5/20 0.34
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AURKA O14965 2/20 0.31
BMPR1B O00238 1/20 0.31
PLK4 O00444 1/20 0.31
CIT O14578 1/20 0.31
CHEK1 O14757 1/20 0.31
GAK O14976 1/20 0.31
EPHB6 O15197 1/20 0.31
RPS6KA4 O75676 1/20 0.31

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
SCHEMBL4779774 0.81 KDM4E (0.32) KDM4EMAPT
SCHEMBL14502685 0.78 PARP1 (0.34) PARP1AURKABMPR1BPLK4CIT
SCHEMBL4780461 0.72 PARP1 (0.32) PARP1AURKABMPR1BPLK4CIT
SCHEMBL4774171 0.71 AURKA (0.35) PARP1AURKABMPR1BPLK4CIT
SCHEMBL13987789 0.71 AURKA (0.33) PARP1AURKABMPR1BPLK4CIT
SCHEMBL4777436 0.71 AURKA (0.33) PARP1AURKABMPR1BPLK4CIT
SCHEMBL4779836 0.71 PARP1 (0.44) KDM4EPARP1HPGDHSD17B10ALDH1A1
SCHEMBL4775301 0.71 PARP1 (0.32) PARP1AURKABMPR1BPLK4CIT
SCHEMBL4780488 0.69 AURKA (0.35) PARP1JAK2AURKABMPR1BPLK4
SCHEMBL14491154 0.67 AURKA (0.39) PARP1AURKABMPR1BPLK4CIT

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 KDM4E 1677/4885MAPT 3362/4885TYMP 741/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA KDM4E 1409/4885MAPT 3427/4885TYMP 683/4885

“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.