SCHEMBL22097796

SCHEMBL22097796

COC(=O)c1ccc(-c2nc(Cl)ncc2C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 17/20 0.45
▸ PDK2 Q15119 8/20 0.45
▸ PDK4 Q16654 8/20 0.45
▸ PDK3 Q15120 7/20 0.45
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ HSP90AA1 P07900 2/20 0.42
▸ MET P08581 1/20 0.40

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
SCHEMBL22097954 0.90 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL24853402 0.89 BTK (0.45) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL31557673 0.86 PDK1 (0.48) PDK1PDK2PDK4PDK3HSP90AA1
SCHEMBL24852574 0.86 PDK1 (0.48) PDK1PDK2PDK4PDK3HSP90AA1
SCHEMBL2857251 0.85 NEK2 (0.45) PDK1PDK2PDK4PDK3NPC1
SCHEMBL22097646 0.79 DHODH (0.48) PDK1PDK2PDK4SMN1; SMN2MAPT
SCHEMBL4540379 0.78 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL22529589 0.78 PDK1 (0.50) PDK1PDK2PDK4PDK3HSP90AA1
SCHEMBL18766101 0.78 BTK (0.46) PDK1PDK2PDK4PDK3NPC1
SCHEMBL29676954 0.78 BTK (0.46) PDK1PDK2PDK4PDK3NPC1

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
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 — — US disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 — — US disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 — — US disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 — — US disclosed
US-20230002362-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-01-05 — — US disclosed
WO-2020119819-A1 BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2020-06-18 — — WO 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 (3 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-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 PDK1 93/4885PDK2 122/4885PDK4 162/4885
US-20230002362-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK1, JAK3, JAK2 PDK1 170/4885PDK2 418/4885PDK4 408/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 PDK1 93/4885PDK2 122/4885PDK4 162/4885

“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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