SCHEMBL24772476

SCHEMBL24772476

CC(C)c1ccc(C(C)(C)c2cccc(C(F)(F)F)c2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.58
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
CES2 O00748 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK6 Q00534 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
SCHEMBL2629463 0.87 PDE2A (0.73) PDE2AHTR2AMRGPRX4
SCHEMBL18647493 0.85 PDE2A (0.43) PDE2AESR1ESR2HTT
SCHEMBL19805986 0.84 PDE2A (0.41) PDE2AESR1ESR2ALDH1A1HTT
SCHEMBL23252276 0.78 AR (0.39) PDE2AESR1ESR2HTR2AHTR2C
SCHEMBL22863819 0.75 PDE2A (0.42) PDE2AALDH1A1HTT
SCHEMBL21316113 0.75 PDE2A (0.50) PDE2AALDH1A1HTTTSHR
SCHEMBL21180451 0.74 PDE2A (0.69) PDE2AHTR2AHTR2CHTR2BALDH1A1
SCHEMBL22279497 0.74 PDE2A (0.69) PDE2AHTR2AHTR2CHTR2BALDH1A1
SCHEMBL20072514 0.74 PDE2A (0.69) PDE2AHTR2AMRGPRX4ALDH1A1
SCHEMBL18075371 0.74 PDE2A (1.00) PDE2AHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 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-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 PDE2A 1531/4885ESR1 2475/4885ESR2 2468/4885

“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.