SCHEMBL21047086

SCHEMBL21047086

Cn1ncc2c(Br)cc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
AXL P30530 1/20 0.33
PDE2A O00408 1/20 0.33
GRM2 Q14416 1/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 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
SCHEMBL31479523 1.00 MEN1 (0.41) MEN1KMT2AIDO1TDO2AXL
SCHEMBL15730130 0.81 PDE2A (0.39) MEN1KMT2APDE2AHPGDHSD17B10
SCHEMBL24104233 0.79 ADORA2A (0.35) MEN1KMT2APDE2AHPGDHSD17B10
SCHEMBL31453021 0.78 ESR1 (0.39) MEN1KMT2AIDO1TDO2PDE2A
SCHEMBL15209635 0.78 GAA (0.35) MEN1KMT2AIDO1TDO2GRM2
SCHEMBL24148121 0.78 ESR1 (0.39) MEN1KMT2AIDO1TDO2PDE2A
SCHEMBL30855850 0.78 GAA (0.35) MEN1KMT2AIDO1TDO2GRM2
SCHEMBL22660499 0.76 GRM2 (0.37) IDO1TDO2GRM2HTR2AHTR2C
SCHEMBL30483048 0.76 GRM2 (0.37) IDO1TDO2GRM2HTR2AHTR2C
SCHEMBL26200048 0.75 CCR4 (0.32) MEN1KMT2APDE2AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712969-A1 CYCLIN INHIBITORS Circle Pharma, Inc. (US) 2026-03-25 EP disclosed
US-20240408169-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-12-12 US disclosed
EP-3498693-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-10-30 EP disclosed
CN-109790122-B Heterocyclic compounds 武田药品工业株式会社 2022-06-24 CN disclosed
CN-107556244-B Fused ring compound, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2021-09-03 CN disclosed
US-10696651-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-30 US disclosed
EP-3498693-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-06-19 EP disclosed
US-20190169166-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-06 US 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 (3 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-10696651-B2 Heterocyclic compound EIF2AK4, GCN1, GTF2I MEN1 415/4885KMT2A 2091/4885IDO1 4501/4885
US-20190169166-A1 HETEROCYCLIC COMPOUND EIF2AK4, GCN1, GTF2I MEN1 415/4885KMT2A 2091/4885IDO1 4501/4885
US-20240408169-A1 CYCLIN INHIBITORS CCNI, CDK2, CDK1 MEN1 2017/4885KMT2A 1460/4885IDO1 3161/4885

“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.