SCHEMBL18806155

SCHEMBL18806155

CC(C)(C)c1ccc2c(n1)CCN(CCS(C)(=O)=O)C2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK6 Q00534 1/20 0.44
▸ FLT3 P36888 1/20 0.41
▸ ADORA2A P29274 1/20 0.36
▸ MOGAT2 Q3SYC2 2/20 0.36
▸ HTR7 P34969 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 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
SCHEMBL12693988 0.83 CDK4 (0.43) CDK4CDK2CDK6FLT3LMNA
SCHEMBL12541097 0.82 CDK4 (0.44) CDK4CDK2CDK6FLT3LMNA
SCHEMBL20249376 0.82 PDCD1 (0.47) CDK4CDK2CDK6FLT3LMNA
SCHEMBL18819897 0.81 CDK4 (0.43) CDK4CDK2CDK6FLT3LMNA
SCHEMBL18819904 0.80 CDK4 (0.41) CDK4FLT3ADORA2ALMNAPOLB
SCHEMBL18806194 0.80 ADORA2A (0.37) CDK4CDK2CDK6FLT3ADORA2A
SCHEMBL20249391 0.80 CDK4 (0.42) CDK4CDK2CDK6
SCHEMBL22966559 0.80 CDK4 (0.42) CDK4CDK2CDK6ADORA2ALMNA
SCHEMBL18806181 0.80 CDK4 (0.40) CDK4CDK2CDK6FLT3KDM4E
SCHEMBL20255390 0.80 CDK4 (0.43) CDK4CDK2CDK6ADORA2AMOGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828373-B2 2-amino-pyrido[2,3-D]pyrimidin-7(8H)-one derivatives as CDK inhibitors and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-11-28 — — US disclosed
US-9828373-B2 2-amino-pyrido[2,3-D]pyrimidin-7(8H)-one derivatives as CDK inhibitors and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-11-28 — — US disclosed
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-04 — — US disclosed
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-04 — — 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-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF CDK6, CDK4, CDK7 CDK4 2/4885CDK2 4/4885CDK6 1/4885

“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.

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