SCHEMBL21486449

SCHEMBL21486449

Cn1cnc2cccc(C#N)c21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.45
KMT2A Q03164 1/20 0.43
PSMB8 P28062 1/20 0.39
DPP8 Q6V1X1 3/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
IMPDH2 P12268 2/20 0.37
NSD2 O96028 2/20 0.36
TSHR P16473 1/20 0.36
GRM5 P41594 2/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL308134 0.75 DPP4 (0.43) DPP4DPP8USP2MAPK1FGFR1
SCHEMBL6012147 0.75 DPP4 (0.43) DPP4DPP8USP2MAPK1FGFR1
SCHEMBL4724897 0.75 DPP4 (0.50) DPP4KMT2ADPP8FGFR1
SCHEMBL17940717 0.74 FGFR1 (0.61) FGFR1
SCHEMBL24686841 0.73 DPP4 (0.41) DPP4DPP8GRM5FGFR1
SCHEMBL21187468 0.73 DPP4 (0.51) DPP4PSMB8DPP8FGFR1
SCHEMBL15268278 0.73 DPP4 (0.41) DPP4DPP8FGFR1
SCHEMBL1013519 0.73 ALDH1A1 (0.50) DPP4KMT2ADPP8NSD2FGFR1
SCHEMBL16140228 0.73 DPP4 (0.43) DPP4DPP8FGFR1
SCHEMBL8050564 0.73 FGFR1 (0.56) DPP4KMT2ADPP8FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974035-A 2-Aminoimidazole derivatives as PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-11-15 CN claimed
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 DPP4 1377/4885KMT2A 1633/4885PSMB8 3415/4885

“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.