SCHEMBL22014711

SCHEMBL22014711

CCc1cc(C#N)cc(C(C)C)c1N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
POLB P06746 2/20 0.33
CYP2A6 P11509 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
PRKD3 O94806 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
GRIN1 Q05586 1/20 0.31
GPR35 Q9HC97 1/20 0.31
GLA P06280 1/20 0.30
DHFR P00374 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
SCHEMBL7928482 0.83 HTT (0.46) HTTALDH1A1MAPTABCC9ABCC8
SCHEMBL7929939 0.83 TTR (0.37) HTTALDH1A1CYP2A6
SCHEMBL22014713 0.83 ABCC9 (0.34) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL21543585 0.77 ALDH1A1 (0.33) HTTALDH1A1MAPTPOLBCYP2A6
SCHEMBL1175919 0.77 ALDH1A1 (0.57) HTTALDH1A1MAPTABCC9ABCC8
SCHEMBL5161230 0.76 HTT (0.38) HTTALDH1A1MAPTPOLB
SCHEMBL22705097 0.76 CYP2A6 (0.39) ALDH1A1CYP2A6GPR35GLA
SCHEMBL22705144 0.76 ABCC9 (0.37) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL25138912 0.75 EGFR (0.33) ALDH1A1MAPTABCC9ABCC8KCNJ11
SCHEMBL22014717 0.75 TTR (0.44) HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 HTT 2618/4885ALDH1A1 2123/4885MAPT 2169/4885

“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.