SCHEMBL4815159

SCHEMBL4815159

CCOC(=O)Nc1cccc2c1CCC2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.52
PTPN1 P18031 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KIT P10721 1/20 0.46
FLT1 P17948 1/20 0.46
KDR P35968 1/20 0.46
NLRP3 Q96P20 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4814588 0.79 NPC1 (0.56) ALDH1A1GAAHPGDCYP1A2CYP2C9
SCHEMBL11800872 0.78 CYP3A4 (0.60) ALDH1A1GAACYP1A2CYP2C19KDM4E
SCHEMBL2002359 0.77 CYP1A2 (0.44) ALDH1A1GAAHPGDCYP1A2CYP2C9
SCHEMBL2673077 0.77 NPC1 (0.66) ALDH1A1HPGDPTPN1CYP1A2CYP2C9
SCHEMBL11630902 0.77 ALDH1A1 (0.60) ALDH1A1GAAHPGDCYP1A2CYP2C9
SCHEMBL9342000 0.75 ALDH1A1 (0.78) ALDH1A1HPGDPTPN1CYP1A2CYP2C9
SCHEMBL8104228 0.75 ALDH1A1 (0.55) ALDH1A1GAAHPGDNLRP3SMN1; SMN2
SCHEMBL28401182 0.75 ALDH1A1 (0.72) ALDH1A1GAAHPGDPTPN1CYP1A2
SCHEMBL6557517 0.75 HPGD (0.63) ALDH1A1HPGDPTPN1CYP1A2CYP2C9
SCHEMBL6237270 0.74 SMN1; SMN2 (0.48) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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 ALDH1A1 3901/4885GAA 1477/4885HPGD 2092/4885

“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.