SCHEMBL23330745

SCHEMBL23330745

O=Cc1cc(-c2cnc3ccccn23)co1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.51
MIF P14174 1/20 0.51
PIK3CA P42336 3/20 0.46
KDR P35968 3/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
PKM P14618 2/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
MTOR P42345 1/20 0.39
DYRK1A Q13627 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL18003003 0.76 MIF (0.56) FLT3MIFPIK3CAKDRPRMT5
SCHEMBL29831257 0.74 MIF (0.45) FLT3MIFPIK3CAKDRPRMT5
SCHEMBL2650330 0.73 FLT3 (0.74) FLT3MIFPIK3CAKDRPKM
SCHEMBL23331132 0.72 MIF (0.48) FLT3MIFPIK3CAKDRPRMT5
SCHEMBL23330747 0.71 MIF (0.47) FLT3MIFPIK3CAKDRPRMT5
SCHEMBL23330748 0.71 MIF (0.47) FLT3MIFPIK3CAKDRPRMT5
SCHEMBL19153658 0.71 FLT3 (0.49) FLT3MIFPIK3CAPKMDYRK1A
SCHEMBL20567132 0.70 FLT3 (0.52) FLT3MIFPIK3CAKDRPRMT5
SCHEMBL15757581 0.69 FLT3 (0.68) FLT3MIFPIK3CAKDRPKM
SCHEMBL2549330 0.69 NPSR1 (0.50) FLT3MIFPIK3CAPKMDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-02 US disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
CN-114829357-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2022-07-29 CN disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
CN-112724127-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2021-04-30 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-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF STING1, CGAS, IRF3 FLT3 481/4885MIF 102/4885PIK3CA 2062/4885

“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.