SCHEMBL22063459

SCHEMBL22063459

C/N=C(\N)c1nonc1N

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
PKM P14618 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 9/20 0.45
NPC1 O15118 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
IDO1 P14902 1/20 0.45
AKT1 P31749 2/20 0.44
BTK Q06187 1/20 0.44
PLEKHA1 Q9HB21 1/20 0.44
MEN1 O00255 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
MAPT P10636 2/20 0.42
POLB P06746 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
SCHEMBL14592144 0.80 KMT2A (0.53) KMT2APKML3MBTL1RAB9ANPC1
SCHEMBL150406 0.80 AKT1 (0.55) KMT2APKML3MBTL1RAB9ANPC1
SCHEMBL14592141 0.80 AKT1 (0.55) KMT2APKML3MBTL1RAB9ANPC1
SCHEMBL5350096 0.80 KMT2A (0.53) KMT2APKML3MBTL1RAB9ANPC1
SCHEMBL122211 0.80 AKT1 (0.55) KMT2APKML3MBTL1RAB9ANPC1
SCHEMBL22672833 0.78 KMT2A (0.51) KMT2APKML3MBTL1RAB9ANPC1
Hydrochloric Acid SCHEMBL20983704 0.78 AKT1 (0.58) KMT2APKML3MBTL1RAB9ANPC1
SCHEMBL19934375 0.77 KMT2A (0.42) KMT2APKML3MBTL1ALDH1A1IDO1
SCHEMBL10181686 0.75 KMT2A (0.49) KMT2APKML3MBTL1RAB9ANPC1
SCHEMBL5359902 0.74 KMT2A (0.47) KMT2APKML3MBTL1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046679-B2 Indoleamine 2,3-dioxygenase inhibitor and application NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2021-06-29 US disclosed
US-20200361919-A1 DEUTERATED INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND APPLICATION THEREOF NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2020-11-19 US disclosed
US-20200181131-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND APPLICATION NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2020-06-11 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 (3 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-11046679-B2 Indoleamine 2,3-dioxygenase inhibitor and application IDO1, IDO2, INMT KMT2A 92/4885PKM 1122/4885L3MBTL1 3647/4885
US-20200181131-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND APPLICATION IDO1, IDO2, INMT KMT2A 92/4885PKM 1122/4885L3MBTL1 3647/4885
US-20200361919-A1 DEUTERATED INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND APPLICATION THEREOF IDO1, IDO2, INMT KMT2A 224/4885PKM 1662/4885L3MBTL1 3024/4885

“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.