SCHEMBL18896409

SCHEMBL18896409

CCC(C)C(CC#N)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNA5 P22460 4/20 0.41
KCNH2 Q12809 2/20 0.41
TSHR P16473 1/20 0.39
CYP2D6 P10635 3/20 0.39
KCNE1 P15382 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRM2 P08172 2/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9918196 0.85 SMN1; SMN2 (0.43) SMN1; SMN2MEN1GAAKMT2AKCNA5
SCHEMBL23518093 0.83 KCNA5 (0.47) SMN1; SMN2MEN1GAAKMT2AKCNA5
SCHEMBL19592263 0.81 KCNH2 (0.41) SMN1; SMN2MEN1GAAKMT2AKCNA5
SCHEMBL21316518 0.79 HRH4 (0.33) KCNH2
SCHEMBL21316529 0.79 S1PR1 (0.31)
SCHEMBL3471195 0.79 KCNA5 (0.44) SMN1; SMN2MEN1GAAKMT2AKCNA5
SCHEMBL23518017 0.79 KCNA5 (0.47) SMN1; SMN2MEN1GAAKMT2AKCNA5
SCHEMBL9921703 0.78 SMN1; SMN2 (0.45) SMN1; SMN2MEN1GAAKMT2AKCNA5
SCHEMBL15944558 0.77 KCNA5 (0.45) SMN1; SMN2MEN1GAAKMT2AKCNA5
SCHEMBL18896273 0.76 CTSS (0.33)

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 SMN1; SMN2 3741/4885MEN1 3406/4885GAA 4364/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 SMN1; SMN2 3741/4885MEN1 3406/4885GAA 4364/4885

“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.