SCHEMBL23973240

SCHEMBL23973240

CC(=O)Nc1ccc(-c2ccncn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
KDM4E B2RXH2 5/20 0.63
GAA P10253 3/20 0.63
PRNP P04156 1/20 0.63
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
MAPT P10636 4/20 0.55
RXFP1 Q9HBX9 2/20 0.55
JAK2 O60674 2/20 0.53
JAK3 P52333 1/20 0.53
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49

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
SCHEMBL30167511 1.00 KMT2A (0.63) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL1444775 0.82 FYN (0.56) KDM4ESMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL3728246 0.79 SMN1; SMN2 (0.76) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL11255014 0.79 TRPV1 (0.62) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL13458072 0.77 SMN1; SMN2 (0.61) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL3712178 0.77 KMT2A (0.59) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL14377943 0.77 PPARG (0.54) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL9903935 0.76 CYP2D6 (0.60) MAPTMAPK10CYP3A4
SCHEMBL8081927 0.76 MEN1 (0.75) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL4393221 0.75 MEN1 (0.73) KMT2AMEN1KDM4EGAAPRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174488-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-08 US disclosed
US-20230174488-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-08 US disclosed
CN-115803322-A SARS-COV-2 inhibitors with covalent modification for the treatment of coronavirus infection 英矽智能科技知识产权有限公司 2023-03-14 CN disclosed
WO-2021219089-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (CN) 2021-11-04 WO disclosed
CN-106061974-B Maleimide derivatives as the conditioning agent of WNT approach 新加坡科技研究局 2018-04-20 CN disclosed
CN-106061974-A Maleimide derivatives as modulators of WNT pathway 新加坡科技研究局 2016-10-26 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-20230174488-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS ACE2, SARS1, ACE KMT2A 674/4885MEN1 4659/4885KDM4E 896/4885

“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.