SCHEMBL29438430

SCHEMBL29438430

CN(C)c1ccc(NC(=O)c2cn[nH]c2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.52
GAA P10253 2/20 0.52
AHR P35869 1/20 0.52
MAPT P10636 8/20 0.50
ALDH1A1 P00352 6/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 3/20 0.50
MCL1 Q07820 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
RECQL P46063 1/20 0.50
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.48
P4HTM Q9NXG6 2/20 0.47
TP53 P04637 2/20 0.46
KLKB1 P03952 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL29438452 0.84 GAA (0.58) HSD17B10GAAAHRMAPTALDH1A1
SCHEMBL29438424 0.82 GAA (0.56) HSD17B10GAAAHRALDH1A1LMNA
SCHEMBL29438421 0.81 GAA (0.55) HSD17B10GAAAHRMAPTALDH1A1
SCHEMBL29438425 0.81 HSP90AA1 (0.57) HSD17B10GAAAHRNPC1RAB9A
SCHEMBL29438417 0.81 CDK2 (0.65) HSD17B10GAAAHRMAPTALDH1A1
SCHEMBL3421414 0.81 HSD17B10 (0.65) HSD17B10GAAAHRMAPTALDH1A1
SCHEMBL29438411 0.81 GAA (0.52) HSD17B10GAAAHRMAPTALDH1A1
SCHEMBL29438450 0.81 HSP90AA1 (0.58) HSD17B10GAAAHRMAPTALDH1A1
SCHEMBL29438419 0.81 GAA (0.52) HSD17B10GAAAHRMAPTALDH1A1
SCHEMBL23854216 0.80 GAA (0.56) HSD17B10GAAAHRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064167-A1 IMIDAZO-PYRAZOLE CARBOXAMIDE DERIVATIVES AS ANTICANCER AGENTS AND THE SYNTHESIS THEREOF AVIDIN KFT. (HU) 2022-03-03 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 (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-20220064167-A1 IMIDAZO-PYRAZOLE CARBOXAMIDE DERIVATIVES AS ANTICANCER AGENTS AND THE SYNTHESIS THEREOF MYD88, MCL1, MYADM HSD17B10 4038/4885GAA 4744/4885AHR 881/4885

“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.