SCHEMBL20105000

SCHEMBL20105000

N#CCC(=O)NCc1ccncn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.50
MAPK14 Q16539 1/20 0.50
NAMPT P43490 3/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
HPGDS O60760 1/20 0.40
POLB P06746 1/20 0.39
CHRM4 P08173 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
P2RX7 Q99572 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36

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
SCHEMBL29493662 1.00 MCL1 (0.50) MCL1MAPK14NAMPTJAK2JAK1
SCHEMBL7970340 0.80 SMN1; SMN2 (0.63) MCL1POLBSMN1; SMN2HPGDALOX15
SCHEMBL29623938 0.80 SMN1; SMN2 (0.63) MCL1POLBSMN1; SMN2HPGDALOX15
SCHEMBL8819 0.80 NAMPT (0.52) MAPK14NAMPTHPGDSPOLBCHRM4
SCHEMBL2266663 0.78 MCL1 (0.70) MCL1SMN1; SMN2HSD17B10
SCHEMBL22501568 0.77 NAMPT (0.52) MAPK14NAMPTHPGDSPOLBCHRM4
SCHEMBL28124071 0.77 NAMPT (0.50) MAPK14NAMPTHPGDSPOLBCHRM4
SCHEMBL19169741 0.76 HPGD (0.48) MAPK14NAMPTHPGDSPOLBCHRM4
SCHEMBL19116342 0.76 HPGD (0.48) MAPK14NAMPTHPGDSPOLBCHRM4
SCHEMBL18343422 0.76 NPSR1 (0.53) MAPK14NAMPTHPGDSCHRM4SMN1; SMN2

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
CN-107922316-B FTO inhibitors 北京生命科学研究所 2022-04-08 CN disclosed
EP-3885337-A1 FTO INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2021-09-29 EP disclosed
US-10988440-B2 FTO inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-04-27 US disclosed
EP-3303283-B1 FTO INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-04-21 EP disclosed
US-20200148628-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-05-14 US disclosed
US-20180118665-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-05-03 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-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 MCL1 4344/4885MAPK14 3705/4885NAMPT 601/4885
US-20200148628-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 MCL1 4344/4885MAPK14 3705/4885NAMPT 601/4885
US-10988440-B2 FTO inhibitors FTO, ALKBH3, ALKBH1 MCL1 4344/4885MAPK14 3705/4885NAMPT 601/4885

“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.