SCHEMBL9965038

SCHEMBL9965038

CCC(O)Cc1ncccn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.37
▸ NLRP3 Q96P20 3/20 0.34
▸ PTPRA P18433 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ KCNJ5 P48544 1/20 0.31
▸ KCNJ3 P48549 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ KCND3 Q9UK17 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ROCK2 O75116 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
SCHEMBL6164383 0.83 TLR8 (0.33) NLRP3PTPRATLR7KCNA5KCNJ5
SCHEMBL27345681 0.80 ADORA2A (0.33) ADORA2ATRPA1
SCHEMBL15255480 0.76 LMNA (0.35) NLRP3PTPRALMNAKCNA5MEN1
SCHEMBL29124570 0.75 CSNK1E (0.36) NLRP3TRPA1
SCHEMBL28643131 0.75 PTPRA (0.56) PTPRALMNATLR7
SCHEMBL9006913 0.72 APEX1 (0.38) PTPRALMNATSHR
SCHEMBL9035682 0.71 KDM4E (0.30) —
SCHEMBL2399051 0.71 CYP1A2 (0.44) NLRP3PTPRALMNAMEN1TSHR
SCHEMBL20279052 0.71 GRIN2D (0.30) —
SCHEMBL2948062 0.70 KDM4E (0.39) NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC 2012-06-21 — — US 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-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK1A1, CSNK1A1L, CSNK1E ADORA2A 3026/4885NLRP3 3719/4885PTPRA 687/4885

“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.

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