SCHEMBL28936237

SCHEMBL28936237

CCOC(=O)c1c(N)ncnc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HPGD P15428 4/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
FHIT P49789 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47

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
SCHEMBL20187440 0.91 KDM4E (0.51) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL29919738 0.83 TSHR (0.47) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL28936249 0.83 TSHR (0.47) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL1687176 0.80 ALDH1A1 (0.45) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL3676351 0.80 PDE4D (0.53) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL21393838 0.80 MAPT (0.44) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL13472446 0.78 MAPT (0.43) ALDH1A1HPGDMAPTGAAHSD17B10
SCHEMBL13472458 0.78 ALDH1A1 (0.43) ALDH1A1HPGDMAPTSMN1; SMN2HSD17B10
SCHEMBL18113731 0.77 CA12 (0.48) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL16274616 0.77 CA12 (0.48) ALDH1A1HPGDMAPTGAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020957-B Heterocyclic compounds as MNK inhibitors 南京天印健华医药科技有限公司(CN) 2023-01-13 CN disclosed
US-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NANJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-09-15 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 (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-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NIM1K, MAP3K1, MAPKAPK2 ALDH1A1 4284/4885HPGD 922/4885MAPT 1243/4885

“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.