SCHEMBL31607337

SCHEMBL31607337

CC(Br)C(=O)Nc1cc(Br)cc2cc[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.37
▸ ROCK2 O75116 6/20 0.37
▸ GPR35 Q9HC97 1/20 0.36
▸ FPR2 P25090 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ GRM5 P41594 4/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPRB P23467 1/20 0.33
▸ PTPRE P23469 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ AR P10275 1/20 0.33
▸ CYP2A6 P11509 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
SCHEMBL31607389 0.82 ROCK2 (0.46) ROCK2ESR1GRM5PTPRCPTPN2
SCHEMBL18661406 0.82 ROCK2 (0.46) ROCK2ESR1GRM5PTPRCPTPN2
SCHEMBL15732787 0.75 PIM1 (0.47) ROCK2GPR35
SCHEMBL31607315 0.73 FPR2 (0.35) JAK3GPR35FPR2
SCHEMBL1557812 0.71 NR3C1 (0.60) ESR1NR3C1PGRNR3C2AR
SCHEMBL27799452 0.70 CYP2A6 (0.38) ESR1NR3C1PGRNR3C2AR
SCHEMBL5923078 0.69 MAPT (0.36) GRM5
SCHEMBL12698726 0.69 FFAR1 (0.46) GPR35MAPK1
SCHEMBL10211382 0.68 MAOA (0.43) ESR1GRM5CYP2A6AHRNR4A2
SCHEMBL553101 0.68 CHEK1 (0.50) NR4A2

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
EP-4613752-A1 POLYCYCLIC POLY(ADP-RIBOSE) POLYMERASE SELECTIVE INHIBITOR Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2025-09-10 — — EP disclosed
US-20250270224-A1 POLYCYCLIC POLY(ADP-RIBOSE) POLYMERASE SELECTIVE INHIBITOR Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2025-08-28 — — US disclosed
CN-120092010-A Polycyclic poly (ADP-ribose) polymerase selective inhibitors 轩竹生物科技股份有限公司 2025-06-03 — — 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-20250270224-A1 POLYCYCLIC POLY(ADP-RIBOSE) POLYMERASE SELECTIVE INHIBITOR PARP1, PARP11, PARP2 JAK3 1754/4885ROCK2 2052/4885GPR35 3024/4885

“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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