SCHEMBL27063866

SCHEMBL27063866

COC(O)c1ccc(-c2nc(Nc3cnn(C4CCNCC4)c3)ncc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUAK1 O60285 4/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ PIK3CD O00329 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CDK6 Q00534 1/20 0.45
▸ FLT4 P35916 4/20 0.45
▸ AURKB Q96GD4 2/20 0.44
▸ AURKC Q9UQB9 1/20 0.44
▸ EIF2AK4 Q9P2K8 2/20 0.43
▸ MYLK4 Q86YV6 2/20 0.43
▸ STK17A Q9UEE5 2/20 0.43
▸ KDR P35968 2/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ TBK1 Q9UHD2 2/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ FGFR4 P22455 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
SCHEMBL22097956 0.85 NUAK1 (0.48) NUAK1JAK3JAK1PIK3CDCSF1R
Hydrochloric Acid SCHEMBL31557685 0.84 NUAK1 (0.47) NUAK1JAK3JAK1PIK3CDCSF1R
SCHEMBL22115091 0.84 JAK3 (0.45) NUAK1JAK3JAK1PIK3CDCSF1R
SCHEMBL22089939 0.83 NUAK1 (0.49) NUAK1JAK3JAK1PIK3CDCSF1R
SCHEMBL27446138 0.83 JAK3 (0.41) JAK3JAK1CDK4JAK2PTK2
SCHEMBL30956549 0.82 JAK3 (0.55) NUAK1JAK3JAK1PIK3CDCSF1R
SCHEMBL24852558 0.82 NUAK1 (0.49) NUAK1JAK3JAK1PIK3CDCSF1R
SCHEMBL24853254 0.79 IGF1R (0.43) JAK3JAK1JAK2IGF1R
SCHEMBL22544617 0.79 MAP4K1 (0.49) JAK3JAK1PIK3CDCSF1RCDK4
SCHEMBL29941940 0.78 JAK3 (0.48) NUAK1JAK3JAK1PIK3CDCSF1R

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-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 — — 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-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 NUAK1 914/4885JAK3 3/4885JAK1 2/4885

“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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