SCHEMBL29439737

SCHEMBL29439737

O=C1CCc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.45
NSD2 O96028 1/20 0.45
ABL1 P00519 1/20 0.45
PLCG1 P19174 1/20 0.45
CES1 P23141 1/20 0.45
PAX8 Q06710 1/20 0.45
RIN1 Q13671 1/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
PTAFR P25105 8/20 0.43
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL2456241 1.00 TDP2 (0.45) TDP2NSD2ABL1PLCG1CES1
SCHEMBL728503 0.88 CYP2A6 (0.48) TDP2NSD2ABL1PLCG1CES1
SCHEMBL2171651 0.88 CYP2A6 (0.44) TDP2NSD2ABL1PLCG1CES1
SCHEMBL29412464 0.88 CYP2A6 (0.48) TDP2NSD2ABL1PLCG1CES1
SCHEMBL4095527 0.84 HRH1 (0.49) TDP2NSD2ABL1PLCG1CES1
SCHEMBL7255792 0.76 CES1 (0.61) TDP2NSD2ABL1PLCG1CES1
SCHEMBL8118609 0.76 MAOA (0.46) TDP2NSD2ABL1PLCG1CES1
SCHEMBL5235878 0.75 CYP1A2 (0.48) TDP2NSD2ABL1PLCG1CES1
SCHEMBL4912110 0.75 TSHR (0.43) TDP2NSD2ABL1PLCG1CES1
SCHEMBL730635 0.74 HRH1 (0.58) TDP2NSD2ABL1PLCG1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545662-B2 MK2 inhibitors and uses thereof XINTHERA, INC. (US) 2026-02-10 US disclosed
CN-119798162-A Preparation method of ternary ring on 5, 6-dihydro-cyclopenta-pyridin-7-one compound 浙江瑞博制药有限公司 2025-04-11 CN disclosed
CN-118908957-A Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-11-08 CN disclosed
CN-112979650-B Organic compound and organic electroluminescent device containing the same 北京鼎材科技有限公司 2024-08-13 CN disclosed
CN-114222737-B Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-07-26 CN disclosed
CN-118307504-A Orange ketone derivative or analogue, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-07-09 CN disclosed
CN-115960109-B Preparation and application of condensed ring SHP2 phosphatase inhibitor 药雅科技(上海)有限公司 2024-06-25 CN disclosed
EP-4244224-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2023-09-20 EP disclosed
WO-2022237676-A1 PREPARATION AND APPLICATION OF SHP2 PHOSPHATASE INHIBITOR 药雅科技(上海)有限公司 2022-11-17 WO disclosed
WO-2022104348-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2022-05-19 WO disclosed
EP-3976597-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE Janssen Pharmaceutica NV (BE) 2022-04-06 EP disclosed
CN-110964018-B Indole derivative and application thereof 华侨大学 2022-03-11 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-12545662-B2 MK2 inhibitors and uses thereof NR3C2, NR2C2, AGTR2 TDP2 1801/4885NSD2 198/4885ABL1 1087/4885

“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.