SCHEMBL31534612

SCHEMBL31534612

O=C1NCc2cc3ccc(Br)cc3n21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.34
CMA1 P23946 1/20 0.34
CHEK1 O14757 1/20 0.33
NOTUM Q6P988 1/20 0.33
PARP10 Q53GL7 2/20 0.33
PARP11 Q9NR21 1/20 0.33
PARP1 P09874 1/20 0.33
TDP2 O95551 1/20 0.32
BRD4 O60885 1/20 0.31
AKT2 P31751 1/20 0.31
CLK2 P49760 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
AURKA O14965 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
MAP3K14 Q99558 1/20 0.31

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
SCHEMBL31534621 0.87 MCL1 (0.37) AHRCMA1CHEK1NOTUMPARP10
SCHEMBL34463390 0.77 NOTUM (0.56) NOTUMALDH1A1KMT2AMAPT
SCHEMBL946355 0.75 NOTUM (0.62) AHRNOTUMPARP10PARP11PARP1
SCHEMBL31534602 0.69 PARP1 (0.38) AHRPARP10PARP11PARP1DYRK1A
SCHEMBL5917502 0.66 HTR2A (0.68) AHRMAPT
SCHEMBL31534625 0.65 NOTUM (0.33) NOTUMALDH1A1POLBMAPTHPGD
SCHEMBL2017606 0.64 CAMK2A (0.36) NOTUMKMOMAPT
SCHEMBL19252945 0.64 RPS6KA3 (0.53)
SCHEMBL4041138 0.63 HTR2A (0.36) AHR
SCHEMBL4041144 0.63 HTR2A (0.36) AHR

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-20260103468-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2026-04-16 US disclosed
CN-119948028-A Condensed-cyclic compound, pharmaceutical composition and application thereof 海南先声再明医药股份有限公司 2025-05-06 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-20260103468-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF NR3C2, CYP11B1, CYP11B2 AHR 894/4885CMA1 730/4885CHEK1 4040/4885

“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.