SCHEMBL4296946

SCHEMBL4296946

CC1(C)NCCN(c2ccc(N)cn2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
GRM5 P41594 16/20 0.36
HDAC1 Q13547 1/20 0.35
CYP19A1 P11511 1/20 0.34

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
SCHEMBL26125601 0.82 OPRM1 (0.46) GRM5
SCHEMBL3401009 0.79 PIK3CA (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18096068 0.78 CRBN (0.52) HDAC1
SCHEMBL19913871 0.78 CRBN (0.54) CCNA2CDK2
SCHEMBL853306 0.76 TDO2 (0.49) CCNA2CDK2GRIN2DGRIN3BGRIN1
SCHEMBL3401617 0.74 GRM5 (0.34) GRM5
SCHEMBL18291456 0.73 CHRNB2 (0.36)
SCHEMBL30826031 0.71 CRBN (0.60) CCNA2CDK2GRIN2DGRIN3BGRIN1
SCHEMBL20038075 0.71 ELANE (0.46)
SCHEMBL27915863 0.70 CCNA2 (0.35) CCNA2CDK2GRIN2DGRIN3BGRIN1

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-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 CCNA2 958/4885CDK2 77/4885GRIN2D 4148/4885

“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.