SCHEMBL4819504

SCHEMBL4819504

CN(Cc1ccco1)c1ccc2c(c1)CCC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.40
CYP2C19 P33261 10/20 0.40
CYP2D6 P10635 9/20 0.40
HSD17B10 Q99714 9/20 0.40
ALDH1A1 P00352 8/20 0.40
CYP3A4 P08684 8/20 0.40
CLK4 Q9HAZ1 7/20 0.40
TSHR P16473 6/20 0.40
USP2 O75604 4/20 0.40
MAPK1 P28482 4/20 0.40
GLA P06280 4/20 0.40
TP53 P04637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTT P42858 1/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 3/20 0.38
CASP1 P29466 2/20 0.38

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
SCHEMBL3966947 0.79 RXRA (0.47) HSD17B10CASP1CASP7GRM5HSD17B1
SCHEMBL6776955 0.72 CASP1 (0.53) CYP1A2HSD17B10ALDH1A1KDM4ECASP1
SCHEMBL4811389 0.68 ALDH1A1 (0.50) CYP1A2CYP2C19CYP2D6HSD17B10ALDH1A1
SCHEMBL4741050 0.68 RXRA (0.47) ALDH1A1TSHRMEN1KMT2A
SCHEMBL28948440 0.66 KDM4E (0.51) CYP1A2CYP2C19HSD17B10ALDH1A1TP53
SCHEMBL4813891 0.65 CASP1 (0.49) CYP1A2HSD17B10ALDH1A1TSHRCASP1
SCHEMBL3994800 0.64 HSD17B1 (0.63) CYP1A2HSD17B10CASP1CASP7MAPT
SCHEMBL13418906 0.64 GRM5 (0.42) CYP1A2CYP2D6HSD17B10ALDH1A1KDM4E
SCHEMBL11872289 0.64 MAOB (0.56) HSD17B10ALDH1A1MAPK1CASP1CASP7
SCHEMBL14741324 0.64 MAOB (0.51) HSD17B10ALDH1A1CASP1CASP7MAPT

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 5 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
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 CYP1A2 2708/4885CYP2C19 1626/4885CYP2D6 2834/4885

“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.