SCHEMBL4815233

SCHEMBL4815233

CCc1nccn1Cc1ccc2c(c1)CCC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KCNH2 Q12809 5/20 0.40
ALDH1A1 P00352 2/20 0.40
ALPG P10696 2/20 0.38
PLAA Q9Y263 1/20 0.38
WDR5 P61964 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALPL P05186 1/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL4818338 0.91 HTT (0.39) HTTMAPTRAB9AKCNH2ALDH1A1
SCHEMBL4812048 0.90 AGTR1 (0.43) HSD17B1HTTMAPTRAB9AKCNH2
SCHEMBL4820438 0.82 GRM2 (0.43) KCNH2WDR5CASP1CASP7HSD17B10
SCHEMBL91586 0.75 HSD17B1 (0.55) HSD17B1MAPTRAB9AALDH1A1CASP1
SCHEMBL4820188 0.75 LMNA (0.47) KCNH2WDR5HRH3
SCHEMBL4817540 0.75 HTT (0.47) HSD17B1HTTMAPTRAB9AALDH1A1
SCHEMBL4816792 0.74 CYP1A2 (0.46) HSD17B1KCNH2CASP1CASP7HSD17B10
SCHEMBL4816833 0.73 CYP19A1 (0.47) HSD17B1KCNH2CASP1CASP7HSD17B10
Methyl Alcohol SCHEMBL27943559 0.73 HSD17B1 (0.56) HSD17B1MAPTRAB9AALDH1A1CASP1
SCHEMBL4817613 0.72 GRM2 (0.43) KCNH2WDR5AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 HSD17B1 3698/4885HTT 4450/4885MAPT 2427/4885

“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.