SCHEMBL12090809

SCHEMBL12090809

Cc1ccc2ccc(=O)n(CC=O)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CDK4 P11802 15/20 0.36
CCND1 P24385 15/20 0.36
CCND2 P30279 15/20 0.36
CCND3 P30281 15/20 0.36
ADORA1 P30542 1/20 0.34
CCNB2 O95067 3/20 0.33
CCNE2 O96020 3/20 0.33
CDK1 P06493 3/20 0.33
FGFR1 P11362 3/20 0.33
CCNB1 P14635 3/20 0.33
CCNA2 P20248 3/20 0.33
FGFR2 P21802 3/20 0.33
FGFR4 P22455 3/20 0.33
FGFR3 P22607 3/20 0.33
CCNE1 P24864 3/20 0.33

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
SCHEMBL4135677 0.80 MTNR1A (0.40) CDK4CCND1CCND2CCND3
SCHEMBL12090783 0.80 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL12090831 0.78 CYP1A2 (0.39) LMNAHPGDMEN1KMT2A
SCHEMBL12090918 0.78 KDM4E (0.34) KDM4ELMNAHPGDCDK4CCND1
SCHEMBL3847343 0.76 CDC7 (0.35) CDK4CCND1CCND2CCND3
SCHEMBL19212821 0.76 CDK4 (0.43) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL4136624 0.73 CDK4 (0.44) HPGDCDK4CCND1CCND2CCND3
SCHEMBL19212769 0.72 CDK4 (0.33) CDK4CCND1CCND2CCND3ADORA1
SCHEMBL12090848 0.72 KMT2A (0.42) KDM4ELMNAGAAHPGDHTT
SCHEMBL2798381 0.70 BTK (0.41) KDM4EHPGDMEN1KMT2A

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-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 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-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 KDM4E 1786/4885LMNA 2461/4885GAA 4567/4885

“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.