SCHEMBL18896407

SCHEMBL18896407

CCC(C)C(CC#N)c1ccc(OC)nc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.36
NR3C1 P04150 3/20 0.36
OXTR P30559 1/20 0.36
PBRM1 Q86U86 1/20 0.34
KCNK3 O14649 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CHRNA7 P36544 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNK9 Q9NPC2 1/20 0.32
NAAA Q02083 1/20 0.32
ACACB O00763 1/20 0.32
NNMT P40261 1/20 0.32

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
SCHEMBL9918199 0.87 NR3C1 (0.38) HRH1NR3C1OXTRPBRM1CHRNA7
SCHEMBL19592262 0.83 PBRM1 (0.37) HRH1NR3C1OXTRPBRM1KCNK3
SCHEMBL12329940 0.81 PDE4A (0.37) HRH1NR3C1OXTRPBRM1KCNK3
SCHEMBL12303183 0.81 NR3C1 (0.39) HRH1NR3C1OXTRPBRM1CHRNA7
SCHEMBL18896307 0.80 CYP3A4 (0.34)
SCHEMBL18599607 0.80 ESR1 (0.33) PBRM1
SCHEMBL19592254 0.78 PBRM1 (0.51) PBRM1MEN1KMT2A
SCHEMBL18896316 0.77 TRPV4 (0.36)
SCHEMBL25136872 0.77 NNMT (0.38) HRH1NR3C1OXTRPBRM1CHRNA7
Hydrochloric Acid SCHEMBL23632127 0.75 NNMT (0.37) HRH1NR3C1OXTRPBRM1KCNK3

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
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
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 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 HRH1 1722/4885NR3C1 1778/4885OXTR 4746/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 HRH1 1722/4885NR3C1 1778/4885OXTR 4746/4885

“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.