SCHEMBL4816371

SCHEMBL4816371

COc1ccc(C(c2ccc(OC)cc2)n2nc(-c3ccsc3)c3c2-c2ccc(CNC(=O)NCCN4CCOCC4)cc2C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 6/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM5B Q9UGL1 2/20 0.38
CHEK1 O14757 1/20 0.38
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 2/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL4814720 0.92 ALDH1A1 (0.39) MMP2MMP8MMP12MMP13TSHR
SCHEMBL4817848 0.90 LMNA (0.42) TSHRKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL4814988 0.88 ALDH1A1 (0.39) MMP2MMP8MMP12MMP13TSHR
SCHEMBL5929631 0.86 LMNA (0.42) TSHRKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL4810260 0.85 CNR1 (0.39) ALDH1A1POLBMAPTLMNAKDR
SCHEMBL4812254 0.83 CHEK1 (0.35) MEN1KMT2ACHEK1MAPTKDR
SCHEMBL4808626 0.83 CNR1 (0.39) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL4816463 0.81 PTGES (0.37) ALDH1A1POLBMAPTLMNAKDR
SCHEMBL4810667 0.80 LMNA (0.42) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL4812159 0.80 LMNA (0.43) TSHRMEN1KMT2AALDH1A1POLB

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 MMP2 2683/4885MMP8 2269/4885MMP12 3474/4885

“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.