SCHEMBL18806166

SCHEMBL18806166

CC(C)c1ccc2nc(C(C)(C)C)cn2n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.33
KDM4E B2RXH2 1/20 0.31
PDE10A Q9Y233 3/20 0.31
DYRK1A Q13627 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CG P48736 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL12891186 0.85 PDE10A (0.43) AHRPDE10A
SCHEMBL17803770 0.80 KDM4E (0.39) AHRKDM4EPDE10ADYRK1APIK3CD
SCHEMBL798826 0.80 DYRK1A (0.34) AHRDYRK1A
SCHEMBL2067022 0.77 DYRK1A (0.50) AHRKDM4EPDE10ADYRK1APIK3CD
SCHEMBL7002384 0.76 KDM4E (0.42) AHRKDM4EPDE10ADYRK1APIK3CD
SCHEMBL3342789 0.76 PDE10A (0.39) AHRKDM4EPDE10ADYRK1A
SCHEMBL20047533 0.73 KDM4E (0.37) AHRKDM4EPDE10APIK3CDPIK3CG
SCHEMBL18819912 0.73 PDE10A (0.41) AHRKDM4EPDE10ADYRK1APIK3CD
SCHEMBL2065644 0.73 DRD2 (0.32) DYRK1A
SCHEMBL24362734 0.71 MCHR1 (0.32) KDM4E

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 AHR 1261/4885KDM4E 188/4885PDE10A 3062/4885

“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.