SCHEMBL19928581

SCHEMBL19928581

CCOC(C)n1cc(-c2ncnc3c2ccn3COCCS(C)(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.37
JAK1 P23458 4/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
SIGMAR1 Q99720 1/20 0.35
MAP3K5 Q99683 2/20 0.34
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL872289 0.88 JAK2 (0.40) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL21201787 0.87 JAK2 (0.37) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL26541045 0.83 JAK2 (0.42) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL10247499 0.81 JAK2 (0.38) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL18745052 0.80 JAK2 (0.56) JAK2JAK1TYK2JAK3
SCHEMBL22826701 0.80 JAK2 (0.36) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL18638787 0.79 TPH1 (0.32) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL18638470 0.79 TPH1 (0.32) SIGMAR1
SCHEMBL30749812 0.79 JAK2 (0.37) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL2605520 0.79 JAK2 (0.37) JAK2JAK1TYK2JAK3SIGMAR1

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-20210253584-A1 Processes for Preparing Jak Inhibitors and Related Intermediate Compounds INCYTE HOLDINGS CORPORATION 2021-08-19 US disclosed
EP-3771716-A1 LOW HYGROSCOPIC AMORPHOUS FORM OF BARICITINIB Zaklady Farmaceutyczne "Polpharma" S.A. (PL) 2021-02-03 EP disclosed
US-10364248-B2 Processes for preparing 4-chloro-7H-pyrrolo[2,3-d]pyrimidine INCYTE CORPORATION (US) 2019-07-30 US disclosed
US-9908888-B2 Processes for preparing pyrazolyl-substituted pyrrolo[2,3-d]pyrimidines INCYTE CORPORATION (US) 2018-03-06 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-20210253584-A1 Processes for Preparing Jak Inhibitors and Related Intermediate Compounds JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885TYK2 11/4885
US-10364248-B2 Processes for preparing 4-chloro-7H-pyrrolo[2,3-d]pyrimidine JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885TYK2 17/4885

“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.