SCHEMBL21683299

SCHEMBL21683299

Cc1nc(-c2ccc(CNC(=O)O)cc2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.58
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
LMNA P02545 3/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
HDAC4 P56524 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HDAC1 Q13547 2/20 0.48

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
SCHEMBL23291895 0.90 PLK1 (0.57) PLK1CTSLCTSBCTSSCTSK
SCHEMBL23780470 0.88 HDAC6 (0.62) PLK1LMNARAB9AHPGDHDAC4
SCHEMBL23791596 0.87 PLK1 (0.55) PLK1CTSLCTSBCTSSCTSK
SCHEMBL23292046 0.85 NPC1 (0.60) CTSLCTSBCTSSCTSKLMNA
SCHEMBL23791439 0.84 RAB9A (0.53) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL21683292 0.83 HDAC6 (0.57) HDAC4HDAC6HDAC1HDAC8MAPT
SCHEMBL6565112 0.83 L3MBTL1 (0.59) PLK1TSHRMAPTPOLBKMT2A
SCHEMBL21702519 0.83 PLK1 (0.50) PLK1CTSLCTSBCTSSCTSK
SCHEMBL23791594 0.83 TNKS (0.53) PLK1CTSLCTSBCTSSCTSK
SCHEMBL7074248 0.82 PLK1 (0.57) PLK1LMNATSHRNFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP claimed
US-11945803-B2 Modulators of RAS GTPase TOSK, INC. (US) 2024-04-02 US disclosed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP disclosed
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-09-09 US disclosed
WO-2020033413-A2 MODULATORS OF RAS GTPASE TOSK, INC. (US) 2020-02-13 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 (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-11945803-B2 Modulators of RAS GTPase KRAS, HRAS, NRAS PLK1 123/4885CTSL 2703/4885CTSB 807/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 PLK1 1581/4885CTSL 2734/4885CTSB 3757/4885

“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.