SCHEMBL17576626

SCHEMBL17576626

COc1cc2c(ccc(=O)n2C)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 11/20 0.52
▸ BRD1 O95696 3/20 0.52
▸ BRPF3 Q9ULD4 2/20 0.52
▸ BRD9 Q9H8M2 2/20 0.48
▸ CA12 O43570 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ KAT2B Q92831 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ADORA1 P30542 1/20 0.40

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
SCHEMBL30665881 1.00 BRPF1 (0.52) BRPF1BRD1BRPF3BRD9CA12
SCHEMBL17576630 0.81 S100B (0.58) BRPF1BRD1BRPF3BRD9CA12
SCHEMBL16432414 0.81 BRPF1 (0.52) BRPF1BRD1BRPF3BRD9CA12
SCHEMBL19448882 0.78 BRPF1 (0.50) BRPF1BRD1BRPF3BRD9CA12
SCHEMBL23797332 0.77 BRPF1 (0.49) BRPF1BRD1BRPF3BRD9CA12
SCHEMBL17576492 0.76 BRPF1 (0.52) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL6603697 0.75 ALDH1A1 (0.47) BRPF1BRD1BRPF3BRD9CA12
SCHEMBL26654536 0.75 TUBB4A (0.44) MEN1KMT2AL3MBTL1
SCHEMBL31457657 0.75 TUBB4A (0.44) MEN1KMT2AL3MBTL1
SCHEMBL18326368 0.74 HTT (0.48) BRD4KMT2AKDM4EGLASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 — — EP disclosed
CN-117069725-A Imidazopyridazine substituted benzene ring derivative, preparation method, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-11-17 — — CN disclosed
WO-2023216753-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 上海赛默罗生物科技有限公司 2023-11-16 — — WO disclosed
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 — — US disclosed
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 — — US disclosed
WO-2016034512-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2016-03-10 — — 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-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS BRD4, BRPF3, BRD3 BRPF1 104/4885BRD1 4/4885BRPF3 2/4885

“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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