SCHEMBL12090905

SCHEMBL12090905

Cc1ncc2ccc(=O)n(CC3OCCO3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.46
CCND1 P24385 19/20 0.46
CCND2 P30279 19/20 0.46
CCND3 P30281 19/20 0.46
KMT2A Q03164 1/20 0.40
CCNB2 O95067 3/20 0.39
CCNE2 O96020 3/20 0.39
CDK1 P06493 3/20 0.39
FGFR1 P11362 3/20 0.39
CCNB1 P14635 3/20 0.39
CCNA2 P20248 3/20 0.39
FGFR2 P21802 3/20 0.39
FGFR4 P22455 3/20 0.39
FGFR3 P22607 3/20 0.39
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
CCNA1 P78396 3/20 0.39
CCNB3 Q8WWL7 3/20 0.39
SRC P12931 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
SCHEMBL4135768 0.83 CYP1A2 (0.50) CDK4CCND1CCND2CCND3KMT2A
SCHEMBL12090848 0.82 KMT2A (0.42) CDK4CCND1CCND2CCND3KMT2A
SCHEMBL12090780 0.78 KMT2A (0.42) CDK4CCND1CCND2CCND3KMT2A
SCHEMBL4149838 0.76 CDK4 (0.38) CDK4CCND1CCND2CCND3KMT2A
SCHEMBL4145936 0.76 KCNH2 (0.44) CDK4CCND1CCND2CCND3KMT2A
SCHEMBL4132770 0.75 CDK4 (0.39) CDK4CCND1CCND2CCND3KMT2A
SCHEMBL12090783 0.74 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL12090527 0.72 CYP1A2 (0.45) KMT2A
SCHEMBL4153118 0.72 CYP1A2 (0.44) KMT2ASRC
SCHEMBL2798932 0.70 BTK (0.38) KMT2A

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 CDK4 1691/4885CCND1 1048/4885CCND2 1372/4885

“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.