SCHEMBL21483569

SCHEMBL21483569

CC(C)(O)c1cccc(Cl)c1CN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
DPP4 P27487 1/20 0.42
PNMT P11086 2/20 0.39
DRD1 P21728 1/20 0.38
PGR P06401 1/20 0.38
AKR1B1 P15121 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRA2A P08913 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
ADRA1A P35348 2/20 0.35
OPRK1 P41145 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRA2B P18089 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
SCHEMBL15173346 0.77 TAAR1 (0.47) TAAR1DPP4PNMTSMN1; SMN2MEN1
SCHEMBL110460 0.75 TAAR1 (0.64) TAAR1DPP4PNMTAKR1B1SMN1; SMN2
SCHEMBL23162712 0.75 PGR (0.45) DRD1PGRHTR2AHTR2CADRA1A
SCHEMBL29636630 0.75 PGR (0.45) DRD1PGRHTR2AHTR2CADRA1A
SCHEMBL27733481 0.74 TAAR1 (0.43) TAAR1DPP4SMN1; SMN2ADRA2AADRA1A
SCHEMBL11792315 0.74 TSHR (0.44) PNMTDRD1PGRHTR2AHTR2C
SCHEMBL8895713 0.73 KCNN4 (0.45) PGRHTR2AHTR2CADRA1AOPRK1
SCHEMBL30530487 0.73 KCNN4 (0.45) PGRHTR2AHTR2CADRA1AOPRK1
Hydrochloric Acid SCHEMBL7895201 0.73 TAAR1 (0.61) TAAR1DPP4PNMTAKR1B1SMN1; SMN2
SCHEMBL9265913 0.72 PGR (0.39) DRD1PGRHTR2AHTR2CADRA1A

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 TAAR1 3194/4885DPP4 1377/4885PNMT 2895/4885

“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.