SCHEMBL24914927

SCHEMBL24914927

Cn1nc(CN=[N+]=[N-])cc1C(C)(C)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL26140218 0.82 HTR2C (0.32) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL24915007 0.76 BCHE (0.42) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL24914926 0.75 BCHE (0.34) KDM4E
SCHEMBL24915150 0.74 HTR2C (0.38) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL17844766 0.74 KDM4E (0.35) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL26140221 0.73 KDM4E (0.32) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL24915089 0.73 KDM4E (0.34) KDM4E
SCHEMBL24915555 0.72 HTR2C (0.39) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL19508071 0.71 KDM4E (0.52) KDM4E
SCHEMBL24914977 0.71 HTR2C (0.38) KDM4EALDH1A1HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118373808-A Substituted pyrimidine or pyridine amine derivatives, compositions thereof and pharmaceutical use thereof 上海海雁医药科技有限公司 2024-07-23 CN disclosed
CN-113748110-B Substituted pyrimidine or pyridine amine derivatives, compositions thereof and pharmaceutical use thereof 上海海雁医药科技有限公司 2024-05-14 CN 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
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
CN-113748110-A Substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof 上海海雁医药科技有限公司 2021-12-03 CN 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 KDM4E 3858/4885ALDH1A1 616/4885HTR2C 58/4885

“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.