SCHEMBL18819904

SCHEMBL18819904

CC(C)(C)c1ccc2c(n1)CCN(CCC(F)(F)F)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ ADORA2A P29274 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PDCD1 Q15116 4/20 0.35
▸ CD274 Q9NZQ7 4/20 0.35
▸ DRD3 P35462 9/20 0.35
▸ DRD2 P14416 7/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 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
SCHEMBL18806194 0.92 ADORA2A (0.37) CDK4FLT3ADORA2ALMNAPOLB
SCHEMBL18819903 0.84 CDK4 (0.42) CDK4FLT3LMNAPOLBPDCD1
SCHEMBL20249376 0.84 PDCD1 (0.47) CDK4FLT3LMNAPOLBPDCD1
SCHEMBL18806181 0.82 CDK4 (0.40) CDK4FLT3LMNAPOLBPDCD1
SCHEMBL22966559 0.82 CDK4 (0.42) CDK4ADORA2ALMNAPOLBMAPT
SCHEMBL20249391 0.82 CDK4 (0.42) CDK4
SCHEMBL20255390 0.82 CDK4 (0.43) CDK4ADORA2ALMNAPOLBPDCD1
SCHEMBL21452407 0.80 POLB (0.39) CDK4ADORA2ALMNAPOLBPDCD1
SCHEMBL18806155 0.80 CDK4 (0.44) CDK4FLT3ADORA2ALMNAPOLB
SCHEMBL20249386 0.77 ADRA1B (0.40) ADORA2APOLBDRD3DRD2

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-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

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 2/4885FLT3 825/4885ADORA2A 2170/4885

“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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