SCHEMBL29901547

SCHEMBL29901547

COc1ccc(-c2ccccn2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.53
GRM4 Q14833 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
ERN1 O75460 1/20 0.48
LMNA P02545 2/20 0.47
PTGS2 P35354 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
PTGS1 P23219 1/20 0.46
GLO1 Q04760 1/20 0.46
ATM Q13315 1/20 0.45
HCRTR1 O43613 1/20 0.44

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
SCHEMBL21289970 0.87 DYRK1A (0.55) KMOGRM4MEN1KMT2AERN1
SCHEMBL29496946 0.85 MEN1 (0.56) MEN1KMT2AERN1L3MBTL1MAPT
SCHEMBL5797361 0.85 MEN1 (0.56) MEN1KMT2AERN1L3MBTL1MAPT
SCHEMBL10207982 0.82 NPC1 (0.54) MEN1KMT2AERN1LMNAL3MBTL1
SCHEMBL5945897 0.82 ERN1 (0.49) MEN1KMT2AERN1LMNAL3MBTL1
SCHEMBL28264454 0.81 CLK4 (0.52) KMOGRM4MEN1KMT2AADORA2A
SCHEMBL12312357 0.81 ERN1 (0.48) MEN1KMT2AERN1L3MBTL1MAPT
SCHEMBL8184854 0.81 MAPT (0.58) MEN1KMT2AERN1LMNAL3MBTL1
Formaldehyde SCHEMBL28904777 0.81 ERN1 (0.55) MEN1KMT2AERN1L3MBTL1MAPT
SCHEMBL9815139 0.81 ALDH1A1 (0.58) MEN1KMT2AERN1LMNAPTGS2

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-11420970-B1 Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents NOVARTIS AG (CH) 2022-08-23 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-11420970-B1 Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents NSD2, NSD1, NSD3 KMO 3730/4885GRM4 3030/4885MEN1 3777/4885

“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.