SCHEMBL24767570

SCHEMBL24767570

CC(S)C(CC#N)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.43
▸ HTR2A P28223 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ EPHX1 P07099 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ ACP3 P15309 2/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ SLC6A2 P23975 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
SCHEMBL12251272 0.88 PNMT (0.45) PNMTHTR2AHTR2BHTR2CEPHX1
SCHEMBL19592386 0.84 PNMT (0.42) PNMTHTR2AHTR2BHTR2CEPHX1
SCHEMBL625631 0.82 PNMT (0.47) PNMTHTR2AHTR2BHTR2CEPHX1
SCHEMBL4726331 0.79 PNMT (0.47) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL11084369 0.79 PNMT (0.50) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL13930330 0.79 PNMT (0.50) PNMTHTR2AHTR2BHTR2CEPHX1
SCHEMBL24767429 0.78 CNR1 (0.43) —
SCHEMBL20963104 0.77 PNMT (0.45) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL29072738 0.76 PNMT (0.51) PNMTHTR2AHTR2BHTR2CEPHX1
SCHEMBL22930915 0.76 PNMT (0.47) PNMTHTR2AHTR2BHTR2CDAO

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-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 — — US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 — — 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 (2 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PNMT 3321/4885HTR2A 3786/4885HTR2B 2931/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 PNMT 3321/4885HTR2A 3786/4885HTR2B 2931/4885

“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.

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