SCHEMBL22261024

SCHEMBL22261024

NC(=O)c1cnc(Cl)nc1NCc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 3/20 0.61
▸ JAK2 O60674 2/20 0.61
▸ XPO1 O14980 4/20 0.49
▸ AURKA O14965 4/20 0.48
▸ RPS6KB1 P23443 4/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ VNN1 O95497 3/20 0.46
▸ STAT6 P42226 2/20 0.46
▸ NFKB1 P19838 5/20 0.44
▸ ATF1 P18846 2/20 0.44
▸ AURKB Q96GD4 1/20 0.43
▸ JUN P05412 4/20 0.43
▸ NFKB2 Q00653 4/20 0.43
▸ RELA Q04206 4/20 0.43
▸ MPO P05164 1/20 0.41

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
SCHEMBL22261389 0.90 JAK3 (0.56) JAK3JAK2XPO1AURKARPS6KB1
SCHEMBL22261203 0.85 JAK3 (0.61) JAK3AURKARPS6KB1STAT6AURKB
SCHEMBL2479323 0.82 JAK2 (0.51) JAK3JAK2XPO1AURKARPS6KB1
SCHEMBL22261068 0.81 JAK2 (0.59) JAK3JAK2AURKARPS6KB1JAK1
SCHEMBL22261066 0.80 JAK3 (0.56) JAK3JAK2AURKARPS6KB1JAK1
SCHEMBL22261240 0.80 JAK3 (0.61) JAK3JAK2AURKARPS6KB1JAK1
SCHEMBL22261146 0.80 JAK3 (0.61) JAK3JAK2JAK1VNN1STAT6
SCHEMBL23088795 0.79 JAK3 (0.57) JAK3JAK2JAK1STAT6
SCHEMBL29622850 0.79 JAK3 (0.57) JAK3JAK2JAK1STAT6
SCHEMBL29622795 0.78 JAK3 (0.83) JAK3JAK2JAK1STAT6AURKB

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
EP-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 — — EP disclosed
US-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-05-31 — — US disclosed
US-20210077489-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2021-03-18 — — US disclosed
EP-3686197-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-07-29 — — 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-20210077489-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885XPO1 3900/4885
US-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885XPO1 3900/4885

“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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