SCHEMBL23303979

SCHEMBL23303979

COc1c(CNC(=O)O)ccc(Br)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEP1B Q16820 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL22659800 0.83 P2RX7 (0.40) HPGDALDH1A1P2RX7
SCHEMBL23336653 0.82 KDM4A (0.39) MEN1KMT2AMEP1BL3MBTL1NPC1
SCHEMBL29840257 0.82 KDM4A (0.39) MEN1KMT2AMEP1BL3MBTL1NPC1
SCHEMBL3394171 0.80 KMT2A (0.56) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL23303992 0.75 UCHL1 (0.35) MEN1KMT2AMEP1BTAAR1SMN1; SMN2
SCHEMBL23286528 0.75 CA2 (0.38) MEN1KMT2AMEP1BSMN1; SMN2ALDH1A1
SCHEMBL29825611 0.75 CA2 (0.38) MEN1KMT2AMEP1BSMN1; SMN2ALDH1A1
SCHEMBL21468519 0.75 KMT2A (0.39) MEN1KMT2AMEP1BSMN1; SMN2LMNA
SCHEMBL23088431 0.75 L3MBTL1 (0.42) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL3594266 0.74 MEN1 (0.47) MEN1KMT2AHPGDALDH1A1GAA

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-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-01-26 — — US disclosed
WO-2021087112-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2021-05-06 — — 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 (1 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-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, CDK1, CDK2 MEN1 1448/4885KMT2A 1007/4885MEP1B 493/4885

“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