SCHEMBL22073049

SCHEMBL22073049

CCCc1cccc(C(=N)N)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HRH4 Q9H3N8 1/20 0.35
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PARP1 P09874 1/20 0.34
BRD4 O60885 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
Hydrochloric Acid SCHEMBL9153717 0.98 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL10372072 0.88 KCNH2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15102639 0.87 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL17984763 0.85 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22120114 0.84 KCNH2 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29633134 0.84 KCNH2 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3935225 0.82 MBOAT4 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6898745 0.78 KCNH2 (0.46) KCNH2KDM4ELMNATSHRBRD4
SCHEMBL16579386 0.78 HRH4 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13833223 0.77 CNR1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043615-B2 Fluorine-containing pyrimidine compound and method for manufacturing the same UNIMATEC CO., LTD. (JP) 2024-07-23 US disclosed
US-12043615-B2 Fluorine-containing pyrimidine compound and method for manufacturing the same UNIMATEC CO., LTD. (JP) 2024-07-23 US disclosed
US-20210403455-A1 FLUORINE-CONTAINING PYRIMIDINE COMPOUND AND METHOD FOR MANUFACTURING THE SAME UNIMATEC CO., LTD. (JP) 2021-12-30 US disclosed
WO-2020116296-A1 FLUORINATED PYRIMIDINE COMPOUND AND PRODUCTION METHOD THEREFOR ユニマテック株式会社 2020-06-11 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 (2 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-12043615-B2 Fluorine-containing pyrimidine compound and method for manufacturing the same CNOT1, NUDT1, XRN2 GRIN2D 2317/4885GRIN3B 2235/4885GRIN1 641/4885
US-20210403455-A1 FLUORINE-CONTAINING PYRIMIDINE COMPOUND AND METHOD FOR MANUFACTURING THE SAME CNOT1, NUDT1, XRN2 GRIN2D 2317/4885GRIN3B 2235/4885GRIN1 641/4885

“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.