SCHEMBL22425741

SCHEMBL22425741

COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCCCOc4ccc(OC)c(N)c4)cnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 5/20 0.38
▸ CASR P41180 2/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ QPCT Q16769 1/20 0.33

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
SCHEMBL16812493 0.83 NR3C1 (0.39) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL16812352 0.81 PDE1B (0.38) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL16812354 0.81 CDK5 (0.39) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL16812355 0.80 ALDH1A1 (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1NR3C1
SCHEMBL24263381 0.80 PDE1B (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1NR3C1
SCHEMBL16794653 0.79 CNR2 (0.41) CNR2ALDH1A1POLB
SCHEMBL16794695 0.79 TYK2 (0.44) KMT2AMEN1CNR2NR3C1
SCHEMBL16794714 0.79 TYK2 (0.49) KMT2AMEN1CNR2NR3C1
SCHEMBL16794676 0.79 PDE1B (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1NR3C1
SCHEMBL18161034 0.79 PDE1B (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1NR3C1

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 2 patents. 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
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 — — 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 (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 KLKB1 679/4885CASR 4215/4885KMT2A 42/4885

“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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