SCHEMBL4816693

SCHEMBL4816693

Cc1cc(Cn2ccnc2)cc2c1CCC2=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.52
CYP11B2 P19099 9/20 0.52
CYP19A1 P11511 4/20 0.46
PARP1 P09874 1/20 0.42
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
TBXAS1 P24557 1/20 0.41
QPCT Q16769 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP17A1 P05093 1/20 0.40

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
SCHEMBL4817353 0.84 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1PARP1CYP1A2
SCHEMBL4816893 0.79 QPCT (0.34) QPCT
SCHEMBL4815085 0.76 HTT (0.39) MAPTHSD17B10
SCHEMBL4815667 0.76 WDR5 (0.42) POLBKDM4E
SCHEMBL4820201 0.76 CYP19A1 (0.41) CYP11B1CYP11B2CYP19A1QPCT
SCHEMBL4889149 0.76 CYP19A1 (0.41) CYP19A1
SCHEMBL4819893 0.76 CYP17A1 (0.56) CYP11B1CYP11B2CYP19A1TBXAS1CYP2A6
SCHEMBL2347295 0.73 CYP17A1 (0.60) CYP11B1CYP11B2CYP19A1TBXAS1CYP2A6
SCHEMBL11043846 0.72 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL4814816 0.71 ALDH1A1 (0.44) POLBMAPTKDM4EHSD17B10

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 CYP11B1 1952/4885CYP11B2 1938/4885CYP19A1 2367/4885

“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.