SCHEMBL24276489

SCHEMBL24276489

C[C@@]12CNC[C@]1(C)CN(c1ccnc(Nc3ccc(C(=O)O)cc3)n1)C2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.53
▸ AURKB Q96GD4 2/20 0.50
▸ JAK3 P52333 2/20 0.47
▸ LCK P06239 1/20 0.47
▸ CAMK2D Q13557 2/20 0.46
▸ JAK2 O60674 8/20 0.45
▸ FLT3 P36888 3/20 0.45
▸ JAK1 P23458 5/20 0.44
▸ TYK2 P29597 5/20 0.44

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
SCHEMBL29414207 1.00 AURKA (0.53) AURKAAURKBJAK3LCKCAMK2D
SCHEMBL29414167 0.84 TYK2 (0.52) AURKAAURKBJAK3LCKJAK2
SCHEMBL22855941 0.84 TYK2 (0.52) AURKAAURKBJAK3LCKJAK2
SCHEMBL22856034 0.84 TYK2 (0.52) AURKAAURKBJAK3LCKJAK2
SCHEMBL22856024 0.78 GLO1 (0.40) AURKAJAK3JAK2FLT3JAK1
SCHEMBL22856256 0.77 JAK2 (0.55) JAK3JAK2JAK1TYK2
SCHEMBL29567036 0.77 JAK2 (0.55) JAK3JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL29414166 0.76 JAK2 (0.54) JAK3JAK2JAK1TYK2
SCHEMBL3949808 0.75 AURKA (0.56) AURKAAURKBJAK3LCKCAMK2D
SCHEMBL22856023 0.74 JAK2 (0.43) JAK3JAK2FLT3JAK1TYK2

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-20220112200-A1 HETEROCYCLIC COMPOUNDS FOR MEDIATING TYROSINE KINASE 2 ACTIVITY GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2022-04-14 — — 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-20220112200-A1 HETEROCYCLIC COMPOUNDS FOR MEDIATING TYROSINE KINASE 2 ACTIVITY TYK2, JAK2, JAK1 AURKA 477/4885AURKB 322/4885JAK3 4/4885

“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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