SCHEMBL13199693

SCHEMBL13199693

COc1cc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
BACE1 P56817 2/20 0.36
MAPT P10636 2/20 0.34
PDPK1 O15530 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SHMT2 P34897 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 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
SCHEMBL29833741 1.00 AAK1 (0.39) AAK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22235309 0.93 BACE1 (0.36) AAK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29651923 0.84 AAK1 (0.39) AAK1BACE1PDPK1ALDH1A1NPC1
SCHEMBL13199706 0.84 AAK1 (0.39) AAK1BACE1PDPK1ALDH1A1NPC1
SCHEMBL31268069 0.83 AAK1 (0.46) AAK1CYP1A2BACE1PDPK1ALDH1A1
SCHEMBL1958367 0.83 AAK1 (0.46) AAK1CYP1A2BACE1PDPK1ALDH1A1
SCHEMBL13199691 0.81 PDPK1 (0.33) AAK1PDPK1
SCHEMBL10311298 0.81 BACE1 (0.38) AAK1BACE1PDPK1ALDH1A1NPC1
SCHEMBL15148104 0.80 ALK (0.40) AAK1BACE1
SCHEMBL25033150 0.80 INSR (0.32) AAK1PDPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606556-B2 TYK-2 inhibitor BEONE MEDICINES I GMBH (CH) 2026-04-21 US disclosed
US-20230159520-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US disclosed
US-20230159520-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US disclosed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 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 (4 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-12606556-B2 TYK-2 inhibitor TYK2, TXK, JAK1 AAK1 598/4885CYP1A2 1898/4885CYP3A4 2920/4885
US-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS AAK1 1551/4885CYP1A2 90/4885CYP3A4 64/4885
US-20230159520-A1 TYK-2 INHIBITOR TYK2, IRAK2, PTK2B AAK1 59/4885CYP1A2 2085/4885CYP3A4 4073/4885
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 AAK1 489/4885CYP1A2 2478/4885CYP3A4 958/4885

“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.