Sugi Predict

Sugi Predict / Compounds / SCHEMBL4082436

SCHEMBL4082436

SCHEMBL4082436

O=C(OC(c1cnn(-c2ccnc3[nH]ccc23)c1)C1CCCCC1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 2/20 0.46
▸ PBK Q96KB5 3/20 0.40
▸ AKT2 P31751 2/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ JAK1 P23458 5/20 0.36
▸ JAK3 P52333 4/20 0.36
▸ NUDT1 P36639 1/20 0.36
▸ AURKA O14965 2/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ INCENP Q9NQS7 1/20 0.35
▸ TPX2 Q9ULW0 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ RPS6KA5 O75582 1/20 0.34
▸ PRKD3 O94806 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL4082434 0.85 PRKCI (0.46) PRKCIPBKAKT2GSK3BJAK1
SCHEMBL100483 0.81 PRKCI (0.54) PRKCIPBKAKT2GSK3BJAK1
SCHEMBL18599525 0.79 PRKCI (0.51) PRKCIPBKAKT2GSK3BJAK1
SCHEMBL4097539 0.74 PRKCI (0.42) PRKCIJAK1JAK3JAK2KDR
SCHEMBL4082709 0.72 PRKCI (0.52) PRKCIPBKJAK1AURKAAURKB
SCHEMBL4095600 0.70 PRKCI (0.49) PRKCIJAK1AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4082067 0.70 PRKCI (0.54) PRKCIPBKJAK1JAK3NUDT1
SCHEMBL4086496 0.69 PRKCI (0.48) PRKCIJAK1NUDT1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4082707 0.68 PRKCI (0.52) PRKCIPBKJAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4096039 0.68 PRKCI (0.47) PRKCIPBKAKT2JAK1JAK3

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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 — — US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 — — US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 — — 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885PBK 359/4885AKT2 1064/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885PBK 359/4885AKT2 1064/4885

“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.