SCHEMBL23212166

SCHEMBL23212166

Cc1ccc(-n2cc(CO)nc2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.49
PTGS2 P35354 2/20 0.42
COMT P21964 1/20 0.41
TGFBR1 P36897 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33
CTRC Q99895 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5449238 0.70 PTGS2 (0.48) NOTUMPTGS2CA1CA2CA9
SCHEMBL2171789 0.70 GRM5 (0.43) NOTUMPTGS2TGFBR1GABRA2GABRB2
SCHEMBL1698943 0.70 PTGS2 (0.42) NOTUMPTGS2COMTTGFBR1ALDH1A1
SCHEMBL23232884 0.70 PTGS2 (0.42) PTGS2CA1CA2CA9ALDH1A1
SCHEMBL27216996 0.69 GABRA2 (0.39) LMNAGABRA2GABRB2
SCHEMBL23232883 0.69 GABRA2 (0.46) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL14278541 0.69 PTGS2 (0.50) PTGS2LMNAMEN1NPC1RAB9A
SCHEMBL31483563 0.69
SCHEMBL5424741 0.66 PTGS2 (0.56) PTGS2CA1CA2CA9LMNA
SCHEMBL19211396 0.66 NOTUM (1.00) NOTUMCA1CA2CA9P2RX7

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
CN-114401964-B Compound with BRD4 inhibitory activity, preparation method and application thereof 上海海和药物研究开发股份有限公司 2024-10-01 CN disclosed
US-20240150343-A1 COMPOUND HAVING BRD4 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF HAIHE BIOPHARMA CO., LTD. (CN) 2024-05-09 US disclosed
EP-4043462-A1 COMPOUND HAVING BRD4 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF Haihe Biopharma Co., Ltd. (CN) 2022-08-17 EP disclosed
CN-114401964-A Compound with BRD4 inhibitory activity, preparation method and application thereof 上海海和药物研究开发股份有限公司 2022-04-26 CN disclosed
WO-2021068755-A1 COMPOUND HAVING BRD4 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发股份有限公司 2021-04-15 WO disclosed
CN-112625036-A Compound with BRD4 inhibitory activity, preparation method and application thereof 上海海和药物研究开发股份有限公司 2021-04-09 CN 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-20240150343-A1 COMPOUND HAVING BRD4 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF BRD4, BICRA, BET1 NOTUM 90/4885PTGS2 3251/4885COMT 3451/4885

“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.