SCHEMBL18820331

SCHEMBL18820331

CN1CCC2(CCNC2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CRBN Q96SW2 1/20 0.34
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 2/20 0.34
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL13636691 0.89 GABRD (0.37) TSHRCRBNCYP11B1CYP11B2GABRD
SCHEMBL24720818 0.84 CRBN (0.42) TSHRCRBNCYP11B1CYP11B2L3MBTL3
SCHEMBL16189946 0.78 BRD4 (0.41) CRBNCYP11B1CYP11B2BRD4BRD2
SCHEMBL18806095 0.78 TSHR (0.38) TSHRCYP11B1L3MBTL3L3MBTL1GABRD
SCHEMBL1753675 0.76 CRBN (0.44) TSHRCRBNCYP11B1CYP11B2GABRD
SCHEMBL21557329 0.75 CHRM2 (0.42) TSHRCRBNCYP11B1CYP11B2BRD4
SCHEMBL27046552 0.73 CYP11B1 (0.43) TSHRCRBNCYP11B1CYP11B2BRD4
SCHEMBL21990818 0.72 CYP11B1 (0.42) TSHRCRBNCYP11B1CYP11B2BRD4
SCHEMBL23747695 0.72 CYP11B1 (0.36) CRBNCYP11B1CYP11B2BRD4BRD2
SCHEMBL22914739 0.71 CRBN (0.43) CRBNCYP11B1CYP11B2

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 TSHR 4211/4885CRBN 1220/4885CYP11B1 2289/4885

“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.