SCHEMBL19643369

SCHEMBL19643369

O=C(O)c1cccc2c1ccn2-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
NR4A2 P43354 2/20 0.49
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
KDM4E B2RXH2 2/20 0.46
RORC P51449 5/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 1/20 0.43
FABP4 P15090 4/20 0.43
PTPN1 P18031 1/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
APOBEC3A P31941 1/20 0.41
RECQL P46063 1/20 0.41
CASP6 P55212 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
SCHEMBL2610313 0.87 KDM4E (0.50) NOTUMKDM4ERORCALDH1A1CYP1A2
SCHEMBL31633072 0.85 NOTUM (0.48) NOTUMRORCFABP4ROCK1
SCHEMBL31613071 0.83 HSP90AA1 (0.53) NOTUMNR4A2KDM4EL3MBTL1ROCK1
SCHEMBL8290173 0.83 NR4A2 (0.69) NOTUMNR4A2KDM4EALDH1A1L3MBTL1
SCHEMBL11553625 0.79 NR4A2 (0.69) NR4A2KDM4ERORCCYP1A2CYP3A4
SCHEMBL31601057 0.79 NR4A2 (0.69) NR4A2KDM4ERORCCYP1A2CYP3A4
SCHEMBL15999061 0.79 ROCK1 (0.48) NR4A2NR4A1NR4A3KDM4EPOLB
SCHEMBL27643873 0.76 NOTUM (0.54) NOTUMNR4A2NR4A1NR4A3L3MBTL1
SCHEMBL8926318 0.76 HTR3A (0.45) NOTUMALDH1A1POLBTDP1L3MBTL1
SCHEMBL4622265 0.75 ALDH1A1 (0.47) NOTUMNR4A2NR4A1NR4A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109475530-B Aminoacyl indazole immunomodulators for treating autoimmune diseases 洛克菲勒大学 2022-03-01 CN disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
EP-3463341-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2019-04-10 EP disclosed
CN-109475530-A For treating the aminoacyl indazole immunomodulator of autoimmune disease 洛克菲勒大学 2019-03-15 CN disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO 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-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI2, IL4I1, TFPI NOTUM 1597/4885NR4A2 3083/4885NR4A1 3989/4885

“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.