SCHEMBL4808580

SCHEMBL4808580

COc1ccc(C(c2ccc(OC)cc2)n2nc(-c3ccc(N(C)C(=O)O)s3)c3c2-c2ccccc2C3)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MPI P34949 1/20 0.33
PTGER1 P34995 1/20 0.33
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CACNA2D1 P54289 2/20 0.32
CACNA1B Q00975 2/20 0.32
CACNB1 Q02641 2/20 0.32
CACNA1C Q13936 2/20 0.32
CACNA1G O43497 1/20 0.32
HSD17B2 P37059 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL4817962 0.82 HIF1A (0.33) TSHRALDH1A1KDM4EHPGDMPI
SCHEMBL4808567 0.82 KDR (0.36) TSHRALDH1A1KDM4EHPGDMPI
SCHEMBL4814648 0.81 MEN1 (0.35) TSHRALDH1A1KDM4EHPGDMPI
SCHEMBL4807369 0.80 CYP2C19 (0.33) TSHRALDH1A1KDM4EHPGDMPI
SCHEMBL4819088 0.76 CASR (0.35) TSHRALDH1A1KDM4EHPGDMAPT
SCHEMBL4814467 0.76 KDR (0.38) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL4813034 0.76 P2RX7 (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4817927 0.74 KDR (0.48) MEN1KMT2A
SCHEMBL4808198 0.73 KDM5B (0.41) TSHRALDH1A1KDM4EHPGDMAPT
SCHEMBL4816278 0.66 KDR (0.43)

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 TSHR 3172/4885ALDH1A1 3901/4885KDM4E 1449/4885

“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.