SCHEMBL21964818

SCHEMBL21964818

C[C@H]1CC[C@@H]1NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ TAS1R2 Q8TE23 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TYK2 P29597 11/20 0.35
▸ HPGD P15428 3/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL20689196 0.92 TYK2 (0.43) TYK2
SCHEMBL20697270 0.92 TYK2 (0.43) TYK2
SCHEMBL20697096 0.92 TYK2 (0.43) TYK2
SCHEMBL21948881 0.92 TYK2 (0.43) TYK2
SCHEMBL21947208 0.92 TYK2 (0.43) TYK2
SCHEMBL21947253 0.91 TYK2 (0.42) TYK2
SCHEMBL20697075 0.90 TYK2 (0.44) TYK2
SCHEMBL20688820 0.90 TYK2 (0.44) TYK2
SCHEMBL20696947 0.90 TYK2 (0.44) TYK2
SCHEMBL21246074 0.90 TYK2 (0.44) TYK2

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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — 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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885HSD17B10 2692/4885MEN1 2491/4885

“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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