SCHEMBL24500227

SCHEMBL24500227

COc1ccc(COC[C@H](C)NC(=O)c2cnc3c(N(C)C)cc(Cl)nn23)cc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ TYK2 P29597 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PI4KB Q9UBF8 3/20 0.31
▸ ACACB O00763 1/20 0.31
▸ PI4KA P42356 1/20 0.30
▸ KLKB1 P03952 2/20 0.30
▸ SYK P43405 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL22425928 0.90 P2RX3 (0.36) RAB9APPARGNCOA3TYK2PDE4D
SCHEMBL22425745 0.90 P2RX3 (0.36) RAB9APPARGNCOA3TYK2PDE4D
SCHEMBL22425927 0.90 P2RX3 (0.36) RAB9APPARGNCOA3TYK2PDE4D
SCHEMBL24500718 0.78 P2RX3 (0.36) TYK2PDE4DALDH1A1PI4KB
SCHEMBL22411947 0.78 P2RX3 (0.36) TYK2PDE4DALDH1A1PI4KB
SCHEMBL31126645 0.78 CSF1R (0.31) —
SCHEMBL24500229 0.78 P2RX3 (0.31) —
SCHEMBL32670946 0.78 CSF1R (0.31) —
SCHEMBL22425758 0.77 P2RX3 (0.34) TYK2PDE4D
SCHEMBL22426020 0.77 P2RX3 (0.34) TYK2PDE4D

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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 — — 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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 RAB9A 3788/4885PPARG 2574/4885NCOA3 1906/4885

“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.

Send feedback