SCHEMBL4817540

SCHEMBL4817540

O=C1CCc2cc(Cn3cccn3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 4/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4811626 0.89 HTT (0.47) HTTHDAC1HDAC6MAPTGAA
SCHEMBL4816833 0.82 CYP19A1 (0.47) CYP1A2CYP11B1CYP11B2CASP1CASP7
SCHEMBL4816792 0.80 CYP1A2 (0.46) CYP1A2CYP11B1CYP11B2CASP1CASP7
SCHEMBL4815757 0.78 KDM4E (0.50) KMT2AMEN1ALDH1A1MAPK1CYP1A2
SCHEMBL4815195 0.78 CYP19A1 (0.50) HDAC1HDAC6CASP1CASP7HSD17B10
SCHEMBL2347295 0.75 CYP17A1 (0.60) CYP11B1CYP11B2
SCHEMBL4815233 0.75 HSD17B1 (0.41) HTTMAPTALDH1A1RAB9ACYP1A2
SCHEMBL4815085 0.73 HTT (0.39) HTTHDAC1HDAC6MAPTGAA
SCHEMBL4812048 0.73 AGTR1 (0.43) HTTMAPTALDH1A1RAB9AHSD17B1
SCHEMBL3290710 0.72 CYP1A2 (0.44) MAPTALDH1A1LMNASMN1; SMN2MAPK1

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 HTT 4450/4885HDAC1 644/4885HDAC6 649/4885

“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.