SCHEMBL10065441

SCHEMBL10065441

CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)O)cc3)cc2N1CCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 5/20 0.44
STK4 Q13043 2/20 0.39
BRD4 O60885 4/20 0.39
VRK2 Q86Y07 2/20 0.39
VRK1 Q99986 2/20 0.39
JAK2 O60674 1/20 0.39
CSNK1A1 P48729 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
RPS6KA6 Q9UK32 1/20 0.39
PLK1 P53350 8/20 0.39
TAF1 P21675 1/20 0.38
PLK2 Q9NYY3 6/20 0.36
PLK3 Q9H4B4 5/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
HCAR3 P49019 2/20 0.35

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
SCHEMBL10065442 0.89 RPS6KA3 (0.55) RPS6KA3STK4BRD4VRK2VRK1
SCHEMBL10065443 0.86 PLK1 (0.52) RPS6KA3BRD4CSNK1A1RPS6KA2RPS6KA1
SCHEMBL10065438 0.78 RPS6KA3 (0.49) RPS6KA3NPC1RAB9AAURKAAURKB
SCHEMBL10065437 0.78 RPS6KA3 (0.38) RPS6KA3NPC1RAB9AAURKAAURKB
SCHEMBL10080851 0.77 MEN1 (0.41) RPS6KA3NPC1RAB9AAURKAAURKB
SCHEMBL12101685 0.77 BRD4 (0.34) RPS6KA3BRD4VRK2VRK1JAK2
SCHEMBL10065444 0.77 BRD4 (0.49) BRD4
SCHEMBL10065440 0.75 BRD4 (0.46) RPS6KA3BRD4VRK2VRK1JAK2
SCHEMBL21916321 0.73 PLK1 (0.68) RPS6KA3BRD4CSNK1A1RPS6KA2RPS6KA1
SCHEMBL861947 0.73 PLK1 (0.68) RPS6KA3BRD4CSNK1A1RPS6KA2RPS6KA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193188-B2 Methods of using pyridodihydropyrazinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-05 US disclosed
US-8193188-B2 Methods of using pyridodihydropyrazinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-05 US disclosed
US-20100029642-A1 Methods of Using Pyridodihydropyrazinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 US disclosed
US-20100029642-A1 Methods of Using Pyridodihydropyrazinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 US disclosed
US-7625899-B2 Pyridodihydropyraziones, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-7625899-B2 Pyridodihydropyraziones, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 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 (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-20100029642-A1 Methods of Using Pyridodihydropyrazinones CYP2D6, CYP2B6, C5 RPS6KA3 217/4885STK4 1895/4885BRD4 1717/4885

“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.