SCHEMBL25840185

SCHEMBL25840185

CCc1ccc(N2CCN(C)[C@@H](C)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.47
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ ADRA2A P08913 3/20 0.38
▸ ADRA2B P18089 3/20 0.38
▸ ADRA2C P18825 3/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ GRM1 Q13255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL10264087 0.81 HRH3 (0.43) HRH3ALDH1A1GPR119GRM1DRD4
SCHEMBL20218428 0.79 GRIN2D (0.44) FGFR1FGFR2ADRA2AADRA2BADRA2C
SCHEMBL15858000 0.79 GRM1 (0.55) FGFR1FGFR2ADRA2AADRA2BADRA2C
SCHEMBL2759552 0.79 HRH4 (0.49) HRH3CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL19012469 0.78 CHI3L1 (0.38) HRH3ALDH1A1RAB9ANPC1
SCHEMBL19012567 0.78 CHI3L1 (0.38) HRH3ALDH1A1RAB9ANPC1
SCHEMBL23444507 0.77 ADRA2A (0.44) FGFR1FGFR2RAB9ASMN1; SMN2JAK3
SCHEMBL15986802 0.77 ACVR1 (0.47) FGFR1FGFR2HDAC1
SCHEMBL23544820 0.77 ACACB (0.42) FGFR1FGFR2GRM1HDAC1
SCHEMBL14375965 0.77 MAP4K4 (0.48) HRH3HDAC1DRD2DRD4

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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 — — 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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 HRH3 529/4885CYP1A2 2216/4885CYP2D6 858/4885

“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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