SCHEMBL24914977

SCHEMBL24914977

Cn1nc(CN=[N+]=[N-])cc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PSMB8 P28062 1/20 0.30
PSMB9 P28065 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
SCHEMBL24915007 0.77 BCHE (0.42) HTR2CSLC6A4KDM4EALDH1A1
SCHEMBL13104411 0.76 SMYD3 (0.41) ALDH1A1PSMB8PSMB9
SCHEMBL17844766 0.76 KDM4E (0.35) HTR2CSLC6A4KDM4EALDH1A1
SCHEMBL24915150 0.76 HTR2C (0.38) HTR2CSLC6A4KDM4EALDH1A1
SCHEMBL26970990 0.75 PSMB8 (0.33) PSMB8PSMB9
SCHEMBL15273645 0.75 PSMB8 (0.35) PSMB8PSMB9
SCHEMBL24915555 0.73 HTR2C (0.39) HTR2CSLC6A4KDM4EALDH1A1
SCHEMBL24914928 0.72 KDM4E (0.33) HTR2CSLC6A4KDM4EALDH1A1
SCHEMBL26140221 0.71 KDM4E (0.32) HTR2CSLC6A4KDM4EALDH1A1
SCHEMBL24914927 0.71 KDM4E (0.32) HTR2CSLC6A4KDM4EALDH1A1

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 HTR2C 58/4885SLC6A4 380/4885KDM4E 3858/4885

“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.