SCHEMBL9252869

SCHEMBL9252869

CC(C)N1Cc2cccnc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.45
GRM5 P41594 2/20 0.43
GRM1 Q13255 1/20 0.43
IDH1 O75874 1/20 0.40
P2RX3 P56373 3/20 0.39
PTPRC P08575 2/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
PTPN13 Q12923 1/20 0.37
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
PLCG1 P19174 1/20 0.36
CES1 P23141 1/20 0.36
PAX8 Q06710 1/20 0.36
RIN1 Q13671 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL25596768 0.84 HTR1A (0.45) ADAM17GRM5HTR1ADRD2HTR2A
SCHEMBL29431445 0.77 ADAM17 (0.48) ADAM17PTPRCCTSLCTSSPTPN13
SCHEMBL12573365 0.77 ADAM17 (0.48) ADAM17PTPRCCTSLCTSSPTPN13
SCHEMBL23471447 0.77 GRM5 (0.38) GRM5GRM1IDH1P2RX3ALDH1A1
SCHEMBL14514075 0.76 ADAM17 (0.54) ADAM17USP19HTR1ADRD2HTR2A
SCHEMBL828557 0.74 IDH1 (0.43) IDH1
SCHEMBL9257495 0.74 DPP8 (0.41) GRM5GRM1IDH1DPP8DPP9
SCHEMBL22021651 0.74 ADAM17 (0.45) ADAM17PTPRCCTSLCTSSPTPN13
SCHEMBL25774847 0.74 ADAM17 (0.45) ADAM17PTPRCCTSLCTSSPTPN13
SCHEMBL23511769 0.74 ADAM17 (0.45) ADAM17PTPRCCTSLCTSSPTPN13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-11-16 US disclosed
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
EP-3402797-B1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-02-19 EP disclosed
US-10375962-B2 Heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-13 US disclosed
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 US disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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 (5 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-20230365562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ADAM17 379/4885GRM5 2626/4885GRM1 2881/4885
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP ADAM17 1453/4885GRM5 2955/4885GRM1 2827/4885
US-10375962-B2 Heterocycle derivatives as pesticides DDT, ACHE, CBR1 ADAM17 1196/4885GRM5 3891/4885GRM1 1235/4885
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ACE, ACE2, PKD1 ADAM17 1066/4885GRM5 2415/4885GRM1 3016/4885
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, CBR1 ADAM17 1196/4885GRM5 3891/4885GRM1 1235/4885

“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.