SCHEMBL29533368

SCHEMBL29533368

Cc1cc(-c2cc(Cl)ncc2Cl)ccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ CDK9 P50750 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ KDM4A O75164 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ AAK1 Q2M2I8 2/20 0.38
▸ BTK Q06187 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL22664600 1.00 STK17B (0.41) STK17BSTK17AIDO1CDK9TRPV1
SCHEMBL22659496 0.86 HDAC3 (0.39) BTKTP53
SCHEMBL22664599 0.84 ABL1 (0.48) CDK9
SCHEMBL29533474 0.84 ABL1 (0.48) CDK9
SCHEMBL16794045 0.82 AAK1 (0.49) TRPV1AAK1BTKPDPK1
SCHEMBL16793957 0.81 STK17B (0.44) STK17BSTK17AIDO1TRPV1KDM4A
SCHEMBL24935128 0.80 BRD4 (0.40) TRPV1PRMT5WDR77AAK1BTK
SCHEMBL29840428 0.80 BRD4 (0.40) TRPV1PRMT5WDR77AAK1BTK
SCHEMBL16794118 0.78 AAK1 (0.54) AAK1BTK
SCHEMBL17681842 0.78 BTK (0.42) KDM4AAAK1BTKGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12240838-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2025-03-04 — — US disclosed
US-20220259194-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-08-18 — — US disclosed
EP-3969124-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2022-03-23 — — EP 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-12240838-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN STK17B 192/4885STK17A 171/4885IDO1 3698/4885
US-20220259194-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN STK17B 192/4885STK17A 171/4885IDO1 3698/4885

“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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