SCHEMBL22075239

SCHEMBL22075239

CC(C)(C)OC(=O)N1CCCn2nc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.41
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR2 Q92731 1/20 0.35
CTSK P43235 1/20 0.35
NR1H2 P55055 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
SCHEMBL22074956 0.92 ESR2 (0.36) GRM5LMNAESR2NR1H2
SCHEMBL22102671 0.84 GRM5 (0.41) GRM5TP53LMNAMEN1KMT2A
SCHEMBL22102669 0.83 GRM5 (0.43) GRM5TP53LMNA
SCHEMBL22102668 0.81 GRM5 (0.42) GRM5TP53LMNAMEN1KMT2A
SCHEMBL31692206 0.77 UCHL1 (0.38) LMNAKMT2A
SCHEMBL30706967 0.76 NR1H2 (0.43) MEN1KMT2AESR2NR1H2
SCHEMBL798568 0.76 TP53 (0.41) TP53LMNAESR2NR1H2
SCHEMBL25792290 0.75 GRM5 (0.42) GRM5LMNAESR2
SCHEMBL21530994 0.75 MEN1 (0.39) GRM5MEN1KMT2AESR2CTSK
SCHEMBL172068 0.75 NR1H2 (0.41) GRM5ESR2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US disclosed
US-10952996-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-23 US disclosed
US-10952996-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-23 US disclosed
WO-2020123453-A2 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 WO disclosed
US-20200188370-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 US disclosed
US-20200188370-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 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 (5 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-10952996-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 GRM5 981/4885TP53 2172/4885LMNA 1958/4885
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, USP8, USP7 GRM5 3106/4885TP53 124/4885LMNA 2679/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 GRM5 981/4885TP53 2172/4885LMNA 1958/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 GRM5 981/4885TP53 2172/4885LMNA 1958/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 GRM5 981/4885TP53 2172/4885LMNA 1958/4885

“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.