SCHEMBL12090604

SCHEMBL12090604

CCC1(CCCn2c(=O)ccc3ccncc32)CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CCND2 P30279 2/20 0.33
CCND3 P30281 2/20 0.33
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK1 P06493 1/20 0.32
FGFR1 P11362 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
HASPIN Q8TF76 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
SCHEMBL13952670 0.88 CDK4 (0.32) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL4137316 0.82 KDM4E (0.39)
Hydrochloric Acid SCHEMBL4141561 0.81 KDM4E (0.38)
SCHEMBL12090896 0.78 NAMPT (0.42)
SCHEMBL12090909 0.78 CCNB2 (0.36) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL12091024 0.75
SCHEMBL4145531 0.67 ALDH1A1 (0.41)
SCHEMBL12002159 0.67 KMT2A (0.39) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL11999862 0.65 SMYD3 (0.39)
SCHEMBL28855321 0.65 HDAC1 (0.38) CDK4CCND1CCND2CCND3

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.