SCHEMBL20135286

SCHEMBL20135286

C[C@H]1CN(C(=O)O)[C@]12CCN(c1ncnc3[nH]ccc13)C2

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.75
JAK2 O60674 4/20 0.75
LCK P06239 3/20 0.75
JAK1 P23458 2/20 0.75
TYK2 P29597 2/20 0.75
STAT3 P40763 1/20 0.75

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
SCHEMBL12909912 1.00 JAK3 (0.75) JAK3JAK2LCKJAK1TYK2
SCHEMBL9101101 0.94 JAK3 (0.76) JAK3JAK2LCKJAK1TYK2
SCHEMBL10207518 0.89 JAK3 (0.80) JAK3JAK2LCKJAK1TYK2
SCHEMBL21538587 0.89 JAK3 (0.80) JAK3JAK2LCKJAK1TYK2
SCHEMBL21538584 0.88 JAK3 (0.79) JAK3JAK2LCKJAK1TYK2
SCHEMBL23717341 0.88 JAK3 (0.77) JAK3JAK2LCKJAK1TYK2
SCHEMBL12546710 0.87 JAK3 (0.85) JAK3JAK2LCKJAK1TYK2
SCHEMBL26453160 0.87 JAK3 (0.85) JAK3JAK2LCKJAK1TYK2
SCHEMBL1948607 0.87 JAK3 (0.71) JAK3JAK2LCKJAK1TYK2
SCHEMBL19011863 0.86 JAK3 (0.76) JAK3JAK2LCKJAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321271-B1 METHOD FOR PRODUCING 7H-PYRROLO[2, 3-D]PYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF JAPAN TOBACCO INC (JP) 2024-05-29 EP disclosed
US-11339181-B2 Crystalline forms of a Janus kinase inhibitor JAPAN TOBACCO INC. (JP) 2022-05-24 US disclosed
US-10822354-B2 Method for producing 7h-pyrrolo[2, 3-d]pyrimidine derivative and intermediate thereof JAPAN TOBACCO INC. (JP) 2020-11-03 US disclosed
EP-3559003-A1 CRYSTALLINE FORMS OF A JANUS KINASE INHIBITOR JAPAN TOBACCO INC. (JP) 2019-10-30 EP disclosed
WO-2018117153-A1 CRYSTALLINE FORMS OF A JANUS KINASE INHIBITOR JAPAN TOBACCO INC. (JP) 2018-06-28 WO disclosed
EP-3321271-A1 METHOD FOR PRODUCING 7H-PYRROLO[2, 3-D]PYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF Japan Tobacco, Inc. (JP) 2018-05-16 EP 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-11339181-B2 Crystalline forms of a Janus kinase inhibitor JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885LCK 99/4885
US-10822354-B2 Method for producing 7h-pyrrolo[2, 3-d]pyrimidine derivative and intermediate thereof JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885LCK 172/4885

“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.