SCHEMBL24915552

SCHEMBL24915552

CCn1ccc(CN=[N+]=[N-])n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
KCNH2 Q12809 2/20 0.33
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL24915300 0.82 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL24915156 0.80 KDM4E (0.36) ALDH1A1KDM4EHTR2CSLC6A4MAPT
SCHEMBL24914974 0.80 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL24915582 0.80 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL24915253 0.80 KDM4E (0.34) ALDH1A1KDM4EHTR2CSLC6A4
SCHEMBL24914936 0.79 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL26141963 0.79 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL24915574 0.79 KDM4E (0.35) ALDH1A1KDM4EHTR2CSLC6A4
SCHEMBL17846282 0.79 KDM4E (0.40) ALDH1A1KDM4EKCNH2HTR2CSLC6A4
SCHEMBL24914911 0.78 HTR2C (0.40) ALDH1A1KDM4EHTR2CSLC6A4

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 ALDH1A1 616/4885KDM4E 3858/4885KCNH2 2494/4885

“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.