SCHEMBL30975576

SCHEMBL30975576

[2H]C1([2H])NC(=O)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
PLCG1 P19174 1/20 0.41
CES1 P23141 1/20 0.41
PAX8 Q06710 1/20 0.41
RIN1 Q13671 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CDC25B P30305 3/20 0.37
PTPRC P08575 2/20 0.37
S100A4 P26447 2/20 0.37

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
SCHEMBL2223651 0.80 CA12 (0.50) TDP2NSD2ABL1PLCG1CES1
SCHEMBL299004 0.77 PARP1 (0.53) CYP1A2PARP1PDPK1PARP10PARP11
SCHEMBL2715285 0.74 PARP1 (0.46) TDP2NSD2ABL1PLCG1CES1
SCHEMBL299769 0.72 TDP2 (0.52) TDP2NSD2ABL1PLCG1CES1
SCHEMBL4670599 0.72 TDP2 (0.39) TDP2NSD2ABL1PLCG1CES1
SCHEMBL29875019 0.69 CA12 (0.63) TDP2CES1CA12CA9PARP1
SCHEMBL8484211 0.69 CYP1A2 (0.56) GAACYP1A2SMN1; SMN2ALDH1A1ALOX15
SCHEMBL29110040 0.68 TSHR (0.46) TDP2NSD2ABL1PLCG1CES1
SCHEMBL699878 0.67 CYP1A2 (0.58) TDP2NSD2ABL1PLCG1CES1
SCHEMBL2127320 0.67 CYP1A2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120476110-B Nitrogen-containing heterocyclic derivative inhibitor, preparation method and application thereof SHANGHAI HANSOH BIOMEDICAL Co.,Ltd. (CN) 2026-05-26 CN disclosed
WO-2025007915-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2025-01-09 WO disclosed
CN-119264042-A Cyclopentane derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-01-07 CN disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 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 (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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 TDP2 1858/4885NSD2 1378/4885ABL1 3847/4885

“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.