SCHEMBL12639149

SCHEMBL12639149

CCNc1nc(SC)ncc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
PGK1 P00558 1/20 0.49
KMT2A Q03164 3/20 0.41
GSK3B P49841 2/20 0.40
CYP2C9 P11712 3/20 0.39
PRKCQ Q04759 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK9 P45984 2/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
CYP2D6 P10635 1/20 0.39
PIM1 P11309 1/20 0.39
CDK2 P24941 1/20 0.39
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
IRAK1 P51617 1/20 0.39
RPS6KA3 P51812 1/20 0.39
PLK1 P53350 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
SCHEMBL12876460 0.83 LMNA (0.47) L3MBTL1PGK1KMT2AGSK3BCYP2C9
SCHEMBL12639113 0.80 L3MBTL1 (0.52) L3MBTL1PGK1KMT2AGSK3BCYP2C9
SCHEMBL22190995 0.79 KMT2A (0.41) L3MBTL1KMT2AGSK3BCYP2C9PRKCQ
SCHEMBL1804900 0.79 PIN1 (0.57) L3MBTL1PGK1PRKCQSTK17AMAPT
SCHEMBL11749924 0.76 TDP1 (0.55) PGK1KMT2ACYP2C9CYP3A4CYP2D6
SCHEMBL1521438 0.75 GAA (0.46) L3MBTL1PGK1KMT2ACYP2D6SMN1; SMN2
SCHEMBL28496190 0.75 PGK1 (0.50) L3MBTL1PGK1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12639147 0.74 KMT2A (0.43) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL1521840 0.74 ALDH1A1 (0.40) KMT2ACYP3A4CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL13517647 0.73 ALDH1A1 (0.52) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947695-B2 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-20080070914-A1 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent JANSSEN-CILAG (FR) 2008-03-20 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-20080070914-A1 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent CDK1, CDK2, CDK4 L3MBTL1 2650/4885PGK1 302/4885KMT2A 490/4885

“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.