Sugi Predict

Sugi Predict / Compounds / SCHEMBL20958671

SCHEMBL20958671

SCHEMBL20958671

CCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(C(CC#N)C2CCC2)c1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 18/20 0.97
▸ JAK3 P52333 17/20 0.59
▸ JAK2 O60674 4/20 0.59
▸ DAPK3 O43293 2/20 0.59
▸ PAK4 O96013 2/20 0.59
▸ ABL1 P00519 2/20 0.59
▸ RET P07949 2/20 0.59
▸ LTK P29376 2/20 0.59
▸ CSNK1A1 P48729 2/20 0.59
▸ CLK2 P49760 2/20 0.59
▸ TNK2 Q07912 2/20 0.59
▸ ROCK1 Q13464 2/20 0.59
▸ DYRK1A Q13627 2/20 0.59
▸ IKBKE Q14164 2/20 0.59
▸ NTRK3 Q16288 2/20 0.59
▸ NTRK2 Q16620 2/20 0.59
▸ LRRK2 Q5S007 2/20 0.59
▸ TAOK1 Q7L7X3 2/20 0.59
▸ CAMK1D Q8IU85 2/20 0.59
▸ CLK4 Q9HAZ1 2/20 0.59

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
SCHEMBL20958680 0.98 JAK1 (1.00) JAK1JAK3JAK2DAPK3PAK4
SCHEMBL20982308 0.98 JAK1 (1.00) JAK1JAK3JAK2DAPK3PAK4
SCHEMBL20982243 0.98 JAK1 (1.00) JAK1JAK3JAK2DAPK3PAK4
SCHEMBL20982248 0.92 JAK1 (0.88) JAK1JAK3JAK2DAPK3PAK4
SCHEMBL20958681 0.92 JAK1 (0.88) JAK1JAK3JAK2DAPK3PAK4
SCHEMBL20958673 0.91 JAK1 (0.84) JAK1JAK3JAK2DAPK3PAK4
SCHEMBL20958684 0.91 JAK1 (0.85) JAK1JAK3JAK2DAPK3PAK4
SCHEMBL20958687 0.91 JAK1 (0.83) JAK1JAK3JAK2DAPK3PAK4
SCHEMBL20982246 0.89 JAK1 (1.00) JAK1JAK3JAK2DAPK3PAK4
SCHEMBL20982325 0.89 JAK1 (1.00) JAK1JAK3JAK2DAPK3PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800775-B2 Pyrazolyl pyrrolo[2,3-b]pyrmidine-5-carboxylate analogs and methods of making the same ACLARIS THERAPEUTICS, INC. (US) 2020-10-13 — — US disclosed
US-10800775-B2 Pyrazolyl pyrrolo[2,3-b]pyrmidine-5-carboxylate analogs and methods of making the same ACLARIS THERAPEUTICS, INC. (US) 2020-10-13 — — US disclosed
US-20190135807-A1 PYRAZOLYL PYRROLO[2,3-B]PYRMIDINE-5-CARBOXYLATE ANALOGS AND METHODS OF MAKING THE SAME ACLARIS THERAPEUTICS, INC. 2019-05-09 — — US disclosed
US-20190135807-A1 PYRAZOLYL PYRROLO[2,3-B]PYRMIDINE-5-CARBOXYLATE ANALOGS AND METHODS OF MAKING THE SAME ACLARIS THERAPEUTICS, INC. 2019-05-09 — — 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-20190135807-A1 PYRAZOLYL PYRROLO[2,3-B]PYRMIDINE-5-CARBOXYLATE ANALOGS AND METHODS OF MAKING THE SAME JAK3, JAK1, JAK2 JAK1 2/4885JAK3 1/4885JAK2 3/4885
US-10800775-B2 Pyrazolyl pyrrolo[2,3-b]pyrmidine-5-carboxylate analogs and methods of making the same JAK3, JAK1, JAK2 JAK1 2/4885JAK3 1/4885JAK2 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.