Sugi Predict

Sugi Predict / Compounds / SCHEMBL3758111

SCHEMBL3758111

SCHEMBL3758111

C[Si](C)(C)CCOCn1ccc2c(-c3cnn([C@@H](CC#N)[C@H]4CCN(c5nccc(I)c5C#N)C4)c3)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 10/20 0.45
▸ JAK2 O60674 9/20 0.45
▸ AXL P30530 2/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ JAK3 P52333 4/20 0.39
▸ ABL1 P00519 3/20 0.39
▸ TYK2 P29597 3/20 0.39
▸ DAPK3 O43293 2/20 0.39
▸ PAK4 O96013 2/20 0.39
▸ RET P07949 2/20 0.39
▸ LTK P29376 2/20 0.39
▸ CSNK1A1 P48729 2/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ TNK2 Q07912 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ IKBKE Q14164 2/20 0.39
▸ NTRK3 Q16288 2/20 0.39
▸ NTRK2 Q16620 2/20 0.39

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
SCHEMBL859584 0.93 JAK1 (0.46) JAK1JAK2AXLMERTKTYRO3
SCHEMBL3762076 0.92 JAK1 (0.44) JAK1JAK2AXLMERTKTYRO3
SCHEMBL3753844 0.91 JAK1 (0.44) JAK1JAK2AXLMERTKTYRO3
SCHEMBL3759175 0.91 JAK2 (0.44) JAK1JAK2AXLMERTKTYRO3
SCHEMBL3761837 0.91 JAK1 (0.44) JAK1JAK2AXLMERTKTYRO3
SCHEMBL3759014 0.91 JAK1 (0.44) JAK1JAK2AXLMERTKTYRO3
SCHEMBL861108 0.89 AXL (0.44) JAK1JAK2AXLMERTKTYRO3
SCHEMBL860075 0.89 AXL (0.44) JAK1JAK2AXLMERTKTYRO3
SCHEMBL860347 0.89 JAK1 (0.45) JAK1JAK2AXLMERTKTYRO3
SCHEMBL859491 0.88 JAK1 (0.53) JAK1JAK2AXLMERTKTYRO3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 — — US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 — — US disclosed
US-8716303-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2014-05-06 — — US disclosed
EP-2432555-B1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2014-04-30 — — EP disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 — — 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-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885AXL 449/4885
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885AXL 449/4885

“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.