SCHEMBL17846282

SCHEMBL17846282

Cn1ccc(CN=[N+]=[N-])n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
EPHX2 P34913 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
KCNH2 Q12809 12/20 0.34
GRIN2B Q13224 1/20 0.34
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
KEAP1 Q14145 1/20 0.32
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL30785122 0.88 KDM4E (0.37) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL31425762 0.84 EPHX2 (0.40) EPHX2DDB1CRBNKCNH2GRIN2B
SCHEMBL24915552 0.79 ALDH1A1 (0.38) KDM4EALDH1A1KCNH2KMT2AHTR2C
SCHEMBL23642673 0.79 KDM4E (0.38) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL26140240 0.77 KDM4E (0.37) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL24915156 0.76 KDM4E (0.36) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL24915253 0.76 KDM4E (0.34) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL24914974 0.76 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL24915025 0.75 KDM4E (0.38) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL24915300 0.75 KDM4E (0.35) KDM4EALDH1A1

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 10 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
CN-117624166-A Triazole derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-03-01 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
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
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
WO-2016095089-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO 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 616/4885EPHX2 353/4885

“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.