SCHEMBL4814033

SCHEMBL4814033

Cc1cc2c(cc1CO)C(=O)CC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.42
PBRM1 Q86U86 1/20 0.42
TYMS P04818 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRD4 O60885 2/20 0.36
PTGS2 P35354 2/20 0.35
SHBG P04278 1/20 0.34
GRM5 P41594 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRKCI P41743 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL12306065 0.85 PBRM1 (0.47) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL13180230 0.80 PBRM1 (0.47) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL16558791 0.79 PBRM1 (0.42) HSD17B1PBRM1TYMSCASP1CASP7
SCHEMBL1273997 0.78 PBRM1 (0.47) HSD17B1PBRM1TYMSCASP1CASP7
SCHEMBL16558798 0.76 PBRM1 (0.47) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL10102257 0.76 PBRM1 (0.50) HSD17B1PBRM1TYMSCASP1CASP7
SCHEMBL4811613 0.75 HSD17B1 (0.44) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL866242 0.75 HSD17B1 (0.51) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL4808718 0.74 PTGS2 (0.40) HSD17B1PBRM1PTGS2MAOAMAOB
SCHEMBL4814155 0.74 SMN1; SMN2 (0.45) CASP1CASP7HSD17B10MAPK1

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 HSD17B1 3698/4885PBRM1 988/4885TYMS 547/4885

“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.