SCHEMBL31557673

SCHEMBL31557673

Cc1cnc(Cl)nc1-c1ccc(C(=O)O)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 18/20 0.48
▸ PDK2 Q15119 8/20 0.48
▸ PDK4 Q16654 8/20 0.48
▸ HSP90AA1 P07900 2/20 0.48
▸ PDK3 Q15120 7/20 0.47
▸ RARA P10276 2/20 0.43
▸ RARB P10826 2/20 0.43
▸ RARG P13631 2/20 0.43

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
SCHEMBL24852574 1.00 PDK1 (0.48) PDK1PDK2PDK4HSP90AA1PDK3
SCHEMBL22097796 0.86 PDK1 (0.45) PDK1PDK2PDK4HSP90AA1PDK3
SCHEMBL22529589 0.81 PDK1 (0.50) PDK1PDK2PDK4HSP90AA1PDK3
SCHEMBL22097644 0.77 PDK1 (0.47) PDK1PDK2PDK4HSP90AA1PDK3
SCHEMBL12813119 0.77 AXL (0.49) PDK1PDK2PDK4PDK3
SCHEMBL25551749 0.77 KMO (0.63) —
SCHEMBL30036709 0.77 KMO (0.63) —
SCHEMBL4540379 0.76 ALDH1A1 (0.55) —
SCHEMBL31592748 0.76 BTK (0.45) PDK1PDK2PDK4HSP90AA1PDK3
SCHEMBL22097954 0.75 NPC1 (0.41) —

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-20250115586-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO LTD (CN) 2025-04-10 — — 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-20250115586-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK1, JAK3, JAK2 PDK1 170/4885PDK2 418/4885PDK4 408/4885

“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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