SCHEMBL21657732

SCHEMBL21657732

CC(C)NC(=O)c1ccnn1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NAMPT P43490 1/20 0.51
MEN1 O00255 1/20 0.49
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
PKM P14618 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
SCHEMBL30722880 0.83 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10KMT2AL3MBTL1
SCHEMBL29830512 0.83 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10KMT2AL3MBTL1
SCHEMBL29492368 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10KMT2AL3MBTL1
SCHEMBL22303967 0.81 IL17A (0.42) ALDH1A1TSHRHSD17B10KMT2AL3MBTL1
SCHEMBL29492397 0.80 SYK (0.50) ALDH1A1TSHRHSD17B10KMT2AL3MBTL1
SCHEMBL12110034 0.79 KMT2A (0.60) ALDH1A1TSHRHSD17B10KMT2AL3MBTL1
SCHEMBL13342141 0.78 KDM4E (0.42) ALDH1A1TSHRHSD17B10KMT2AL3MBTL1
SCHEMBL22993704 0.78 KMT2A (0.58) ALDH1A1TSHRHSD17B10KMT2AL3MBTL1
SCHEMBL28976598 0.78 KMT2A (0.58) ALDH1A1TSHRHSD17B10KMT2AL3MBTL1
SCHEMBL7899244 0.78 KMT2A (0.63) ALDH1A1TSHRHSD17B10KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217354-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2023-08-02 EP disclosed
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 US disclosed
WO-2022063646-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2022-03-31 WO disclosed
WO-2020021024-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF THE ARYL HYDROCARBON RECEPTOR (AHR) PHENEX PHARMACEUTICALS AG (DE) 2020-01-30 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-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists AHR, ARNT, AIPL1 ALDH1A1 799/4885TSHR 489/4885HSD17B10 1665/4885

“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.