SCHEMBL29684152

SCHEMBL29684152

COc1ccc(CN(C)C[C@@H](C)N)cc1N

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR7 P34969 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AOC3 Q16853 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL22412170 1.00 GAA (0.54) GAAMEN1KMT2AALDH1A1CYP3A4
SCHEMBL22425992 0.87 GAA (0.54) GAAMEN1KMT2AALDH1A1CYP3A4
SCHEMBL28676505 0.81 GAA (0.47) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL28676506 0.81 GAA (0.47) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL4528153 0.79 GAA (0.67) GAAMEN1KMT2AALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL5913154 0.78 GAA (0.65) GAAMEN1KMT2AALDH1A1CYP3A4
SCHEMBL3720231 0.78 GAA (0.56) GAAMEN1KMT2AALDH1A1CYP3A4
SCHEMBL22412144 0.77 GAA (0.42) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL22412147 0.77 GAA (0.42) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL31681500 0.77 GAA (0.54) GAAMEN1KMT2AALDH1A1CYP3A4

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-113811534-B TYK2 inhibitors and uses thereof 阿鲁米斯公司 2024-10-29 CN disclosed
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 GAA 3318/4885MEN1 1061/4885KMT2A 42/4885

“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.