SCHEMBL21799097

SCHEMBL21799097

CC(NC(=O)c1cnc(N2CC(CC#N)(n3cc(-c4ncnc5[nH]ccc45)cn3)C2)cn1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 1.00
▸ AXL P30530 1/20 0.86
▸ JAK1 P23458 2/20 0.66
▸ JAK3 P52333 1/20 0.58

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
SCHEMBL14377761 1.00 JAK2 (1.00) JAK2AXLJAK1JAK3
SCHEMBL14377373 1.00 JAK2 (1.00) JAK2AXLJAK1JAK3
SCHEMBL29380081 0.93 JAK2 (1.00) JAK2AXLJAK1JAK3
SCHEMBL14331950 0.93 JAK2 (1.00) JAK2AXLJAK1JAK3
SCHEMBL18700275 0.90 JAK2 (0.82) JAK2AXLJAK1
SCHEMBL14377781 0.90 JAK2 (0.82) JAK2AXLJAK1
SCHEMBL14377472 0.89 JAK2 (1.00) JAK2AXLJAK1JAK3
SCHEMBL21799094 0.89 JAK2 (1.00) JAK2AXLJAK1JAK3
SCHEMBL14331838 0.88 JAK2 (1.00) JAK2AXLJAK1JAK3
SCHEMBL14332136 0.87 JAK2 (1.00) JAK2AXLJAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200079783-A1 AZETIDINYL PHENYL, PYRIDYL OR PYRAZINYL CARBOXAMIDE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2020-03-12 — — 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 (1 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-20200079783-A1 AZETIDINYL PHENYL, PYRIDYL OR PYRAZINYL CARBOXAMIDE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK2 3/4885AXL 526/4885JAK1 1/4885

“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.

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