SCHEMBL21285359

SCHEMBL21285359

CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ TYK2 P29597 12/20 0.45
▸ ALDH1A1 P00352 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PDE9A O76083 1/20 0.36

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
SCHEMBL21285360 0.91 KDM4E (0.47) CA12CA1CA2CA9TYK2
SCHEMBL20689041 0.90 TYK2 (0.58) TYK2
SCHEMBL20689333 0.86 TYK2 (0.49) TYK2ALDH1A1KDM4EHTTNPSR1
SCHEMBL20689457 0.86 TYK2 (0.52) TYK2ALDH1A1KDM4EHTTNPSR1
SCHEMBL21948055 0.86 TYK2 (0.51) TYK2ALDH1A1KDM4EHTTNPSR1
SCHEMBL21948922 0.85 TYK2 (0.52) TYK2ALDH1A1KDM4EHTTNPSR1
SCHEMBL20689592 0.84 TYK2 (0.67) TYK2
SCHEMBL21258606 0.83 TYK2 (0.58) TYK2
SCHEMBL21258520 0.83 TYK2 (0.56) TYK2ALDH1A1KDM4E
SCHEMBL21947292 0.81 TYK2 (0.45) TYK2KDM4E

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-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 — — 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-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CA12 4833/4885CA1 4879/4885CA2 4600/4885

“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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