SCHEMBL16046019

SCHEMBL16046019

Cn1ccc2cc(Br)nc(Cl)c21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.33
PRKCI P41743 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL15525134 0.81 PIK3CB (0.34) PIK3CBPRKCINR3C1PGR
SCHEMBL16048078 0.75 PDE10A (0.31) PIK3CBPRKCI
SCHEMBL31276705 0.72 CDK4 (0.35) PIK3CBPRKCI
SCHEMBL12506120 0.70 PRMT5 (0.32)
SCHEMBL16983161 0.69 CDK4 (0.38) PRKCINR3C1PGR
SCHEMBL3570930 0.69 RXFP1 (0.35) PIK3CB
SCHEMBL29942174 0.69 RXFP1 (0.35) PIK3CB
SCHEMBL16427593 0.69 DPP4 (0.41)
SCHEMBL14745740 0.68 NR3C1 (0.30) PRKCINR3C1PGR
SCHEMBL6030519 0.67 KDM4E (0.38) PIK3CBPRKCI

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
US-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC (US) 2016-08-18 US disclosed
US-9321764-B2 Dihydro-pyrrolopyridinone inhibitors ABBVIE INC. (US) 2016-04-26 US disclosed
US-20140275026-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC. 2014-09-18 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 (2 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-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR PIK3CB 1766/4885PRKCI 2057/4885NR3C1 929/4885
US-20140275026-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR PIK3CB 1766/4885PRKCI 2057/4885NR3C1 929/4885

“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.