SCHEMBL3097607

SCHEMBL3097607

CC(N)c1nc2ccc(F)cn2c(=O)c1Br

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.37
FADS1 O60427 2/20 0.36
PIK3R1 P27986 7/20 0.35
PIK3CB P42338 7/20 0.35
PIK3CG P48736 7/20 0.35
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
PIK3CA P42336 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GPR139 Q6DWJ6 1/20 0.32

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
SCHEMBL890505 0.87 PIK3CD (0.38) PIK3CDFADS1PIK3R1PIK3CBPIK3CG
SCHEMBL890605 0.79 PIK3CD (0.37) PIK3CDFADS1PIK3R1PIK3CBPIK3CG
SCHEMBL3098056 0.77 KDM4E (0.45) PIK3CDRXFP1
SCHEMBL890587 0.76 PIK3CD (0.58) PIK3CDFADS1PIK3R1PIK3CBPIK3CG
SCHEMBL890508 0.76 PIK3CD (0.58) PIK3CDFADS1PIK3R1PIK3CBPIK3CG
SCHEMBL3093843 0.75 PIK3CD (0.35) PIK3CDFADS1PIK3R1PIK3CBPIK3CG
SCHEMBL10119944 0.73 PIK3CD (0.34) PIK3CDFADS1PIK3R1PIK3CBPIK3CG
SCHEMBL23456485 0.72 FADS1 (0.51) FADS1CYP11B1CYP11B2GABRA1GABRB2
SCHEMBL890482 0.72 FADS1 (0.38) FADS1CYP11B1CYP11B2GABRA1GABRB2
SCHEMBL2504442 0.72 PIK3CD (0.55) PIK3CDPIK3R1PIK3CBPIK3CGCYP11B1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799795-B2 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. (US) 2010-09-21 US disclosed
US-7799795-B2 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. (US) 2010-09-21 US disclosed
US-7799795-B2 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. (US) 2010-09-21 US disclosed
EP-1917250-B1 ANTI-INFLAMMATORY ARYL NITRILE COMPOUNDS AMGEN INC (US) 2010-07-21 EP disclosed
EP-1917250-B1 ANTI-INFLAMMATORY ARYL NITRILE COMPOUNDS AMGEN INC (US) 2010-07-21 EP disclosed
EP-1917250-A2 ANTI-INFLAMMATORY ARYL NITRILE COMPOUNDS Amgen, Inc (US) 2008-05-07 EP disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed
WO-2007002701-A2 ANTI-INFLAMMATORY ARYL NITRILE COMPOUNDS AMGEN INC. (US) 2007-01-04 WO disclosed
WO-2007002701-A2 ANTI-INFLAMMATORY ARYL NITRILE COMPOUNDS AMGEN INC. (US) 2007-01-04 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-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders CCR1, MSR1, CCR2 PIK3CD 2877/4885FADS1 2084/4885PIK3R1 2103/4885

“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.