SCHEMBL21483549

SCHEMBL21483549

CN1C(=O)CCc2cccc(C#N)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.42
DRD2 P14416 3/20 0.41
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAP2K1 Q02750 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NOTUM Q6P988 1/20 0.37
HTR1A P08908 2/20 0.36
HTR7 P34969 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL20547158 0.81 DRD2 (0.42) DRD2DRD4DRD3RXFP1ALDH1A1
SCHEMBL10889128 0.76 SRD5A1 (0.46) SRD5A1DRD2DRD4DRD3MAP2K1
SCHEMBL8555101 0.76 SRD5A1 (0.46) SRD5A1DRD4MAP2K1ALDH1A1HTR1A
SCHEMBL10889135 0.75 SRD5A1 (0.45) SRD5A1DRD2DRD3MAP2K1ALDH1A1
SCHEMBL11270465 0.75 NOTUM (0.49) SRD5A1MAP2K1NOTUMHTR1ACYP1A2
SCHEMBL3588020 0.75 SRD5A1 (0.45) SRD5A1DRD2DRD4DRD3MAP2K1
SCHEMBL21725603 0.75 DRD2 (0.47) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL11272489 0.75 SRD5A1 (0.45) SRD5A1MAP2K1HTR1ACYP1A2CYP17A1
SCHEMBL8551856 0.75 SRD5A1 (0.45) SRD5A1DRD2MAP2K1HTR1AHTR7
SCHEMBL3588021 0.75 SRD5A1 (0.45) SRD5A1DRD2MAP2K1ALDH1A1KDM4E

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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 US disclosed
WO-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE QURIENT CO., LTD. (KR) 2019-10-17 WO 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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 SRD5A1 983/4885DRD2 4287/4885DRD4 4069/4885

“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.