SCHEMBL12257975

SCHEMBL12257975

Cc1nc(-c2ccnc3[nH]ccc23)c[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.56
BRAF P15056 1/20 0.52
ROCK1 Q13464 4/20 0.51
AURKB Q96GD4 3/20 0.51
JAK2 O60674 2/20 0.51
PRKACA P17612 2/20 0.51
JAK3 P52333 2/20 0.51
PRKCQ Q04759 2/20 0.51
IGF1R P08069 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
DAPK3 O43293 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
FGFR1 P11362 1/20 0.51
FLT1 P17948 1/20 0.51

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
SCHEMBL12347396 0.79 BRAF (0.60) PRKCIBRAFROCK1AURKBJAK2
SCHEMBL2240671 0.77 AURKB (0.71) PRKCIROCK1AURKBJAK2PRKACA
SCHEMBL12127819 0.77 PRKCI (0.63) PRKCIBRAFROCK1AURKBJAK2
SCHEMBL12257978 0.76 NUDT1 (0.56) PRKCIBRAFROCK1AURKBJAK2
SCHEMBL16113151 0.74 PRKCI (0.59) PRKCIBRAFROCK1AURKBJAK2
SCHEMBL14494761 0.74 NUDT1 (0.64) PRKCIBRAFROCK1AURKBJAK2
SCHEMBL29683447 0.74 PRKCI (0.55) PRKCIROCK1AURKBJAK2PRKACA
SCHEMBL2238760 0.74 BRAF (0.61) PRKCIBRAFROCK1AURKBJAK2
SCHEMBL12354979 0.73 PRKCI (0.58) PRKCIBRAFROCK1AURKBJAK2
SCHEMBL3255183 0.73 PRKCI (0.58) PRKCIBRAFROCK1AURKBJAK2

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-9814722-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-11-14 US disclosed
US-8946245-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-02-03 US disclosed
US-20110224157-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 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 (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-20110224157-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885BRAF 51/4885ROCK1 1782/4885

“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.