SCHEMBL22041009

SCHEMBL22041009

COc1ccc2c(c1)C(=O)N(C(C)C)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
APP P05067 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 3/20 0.45
APAF1 O14727 1/20 0.44
TSHR P16473 1/20 0.43
SCN2A Q99250 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12540869 0.87 POLB (0.53) ALDH1A1KDM4EHTTMEN1GAA
SCHEMBL12565092 0.81 ALDH1A1 (0.48) APPL3MBTL1ALDH1A1APAF1KDM4E
SCHEMBL13594239 0.79 APP (0.68) ESR1APPCA1CA2CA4
SCHEMBL28616918 0.79 KMT2A (0.43) L3MBTL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL12540909 0.78 ESR1 (0.49) ESR1APPCA1CA2CA4
SCHEMBL15711565 0.78 ESR1 (0.49) ESR1APPCA1CA2CA4
SCHEMBL3223013 0.78 CA1 (0.53) ESR1APPCA1CA2CA4
SCHEMBL22917698 0.78 KDM4E (0.57) CA1CA2CA4CA7CA9
SCHEMBL26597371 0.77 POLB (0.43) ALDH1A1KDM4EHTTMEN1GAA
SCHEMBL2665475 0.76 MAOA (0.50) APPCA1CA2CA9ALDH1A1

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
US-20230303578-A1 PREPARATION METHOD FOR PYRROLOPYRIMIDINE COMPOUND PRIMEGENE (BEIJING) CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303578-A1 PREPARATION METHOD FOR PYRROLOPYRIMIDINE COMPOUND PRIMEGENE (BEIJING) CO., LTD. (CN) 2023-09-28 US disclosed
WO-2022042577-A1 PREPARATION METHOD FOR PYRROLOPYRIMIDINE COMPOUND 北京普祺医药科技有限公司 2022-03-03 WO disclosed
US-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2020-06-04 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 (2 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-20230303578-A1 PREPARATION METHOD FOR PYRROLOPYRIMIDINE COMPOUND DPYD, RPLP2, DHPS ESR1 4835/4885APP 2924/4885CA1 4373/4885
US-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES CBR3, CBR1, CYP4X1 ESR1 973/4885APP 4474/4885CA1 1807/4885

“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.