SCHEMBL29540606

SCHEMBL29540606

CN(c1ccccc1)c1nc(-c2ccnc3[nH]ccc23)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.52
PRKCI P41743 2/20 0.50
JAK2 O60674 2/20 0.49
PRKACA P17612 2/20 0.49
JAK3 P52333 2/20 0.49
PRKCQ Q04759 2/20 0.49
IKBKB O14920 2/20 0.49
CHUK O15111 1/20 0.49
DAPK3 O43293 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
IGF1R P08069 1/20 0.49
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
LTK P29376 1/20 0.49
GRK5 P34947 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL99400 1.00 ROCK1 (0.52) ROCK1PRKCIJAK2PRKACAJAK3
SCHEMBL18602197 0.85 NUDT1 (0.52) ROCK1PRKCIJAK2PRKACAJAK3
SCHEMBL19062148 0.79 NUDT1 (0.46) ROCK1PRKCIJAK2PRKACAJAK3
SCHEMBL99688 0.79 NUDT1 (0.49) ROCK1PRKCIJAK2PRKACAJAK3
SCHEMBL98272 0.77 ROCK1 (0.62) ROCK1PRKCIJAK2PRKACAJAK3
SCHEMBL12257978 0.76 NUDT1 (0.56) ROCK1PRKCIJAK2PRKACAJAK3
SCHEMBL98798 0.75 ROCK1 (0.63) ROCK1PRKCIJAK2PRKACAJAK3
SCHEMBL29541527 0.75 ROCK1 (0.63) ROCK1PRKCIJAK2PRKACAJAK3
Trifluoroacetic Acid SCHEMBL5145042 0.73 ROCK1 (0.48) ROCK1PRKCIJAK2PRKACAJAK3
Trifluoroacetic Acid SCHEMBL29540745 0.73 ROCK1 (0.48) ROCK1PRKCIJAK2PRKACAJAK3

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-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 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 (3 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 ROCK1 1782/4885PRKCI 304/4885JAK2 3/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ROCK1 1782/4885PRKCI 304/4885JAK2 3/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ROCK1 1782/4885PRKCI 304/4885JAK2 3/4885

“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.