SCHEMBL21285404

SCHEMBL21285404

COC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(-c3cn(C(=O)OC(C)(C)C)c4c(C)cc(C)cc34)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.35
▸ KDM4E B2RXH2 6/20 0.35
▸ HPGD P15428 4/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ CASP1 P29466 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ TYK2 P29597 4/20 0.33
▸ KLK7 P49862 1/20 0.32

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
SCHEMBL20689529 0.93 KDM4E (0.34) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL20689532 0.92 KDM4E (0.41) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL20689531 0.91 TYK2 (0.36) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL25070273 0.78 BRD4 (0.31) —
SCHEMBL25070274 0.78 TLR8 (0.32) —
SCHEMBL25070271 0.78 GPR119 (0.33) TP53ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20696812 0.77 KDM4E (0.43) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21238637 0.77 KDM4E (0.42) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20697359 0.75 CYP1A2 (0.43) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL20688967 0.74 KDM4E (0.41) MAPTTP53ALDH1A1KDM4EHPGD

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-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 — — US disclosed
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 (2 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 MAPT 1236/4885TP53 2843/4885ALDH1A1 4827/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 MAPT 1236/4885TP53 2843/4885ALDH1A1 4827/4885

“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