SCHEMBL24914964

SCHEMBL24914964

Cn1cccc(CN=[N+]=[N-])c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.46
TSHR P16473 1/20 0.35
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MYC P01106 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
GAA P10253 2/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL21658781 0.80 KAT2B (0.43) KAT2BMCL1MYC
SCHEMBL21658766 0.75 KAT2B (0.42) KAT2BMCL1GAA
SCHEMBL24915136 0.75 KAT2B (0.39) KAT2BMCL1
SCHEMBL12797752 0.74 MGLL (0.41) TSHRKDM4EALDH1A1TRIM24TRIM33
SCHEMBL28312340 0.71 KAT2B (0.47) KAT2BMCL1KDM4EALDH1A1MYC
SCHEMBL2048804 0.71 ALDH1A1 (0.38) TSHRKDM4EALDH1A1TRIM24TRIM33
SCHEMBL16347442 0.71 ALDH1A1 (0.38) TSHRKDM4EALDH1A1TRIM24TRIM33
SCHEMBL17553821 0.71 KAT2B (0.45) KAT2BMCL1KDM4EL3MBTL1MYC
SCHEMBL12641734 0.71 ALDH1A1 (0.38) KAT2BTSHRKDM4EALDH1A1TRIM24
SCHEMBL16344955 0.71 ADORA2A (0.38) TSHRKDM4EALDH1A1TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 EP 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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 KAT2B 3316/4885TSHR 510/4885MCL1 4363/4885

“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.