SCHEMBL14112296

SCHEMBL14112296

CC1(C)CC(NC2CCN(C(=O)CNc3ncnc4cc(Cl)c(Cl)cc34)C2)CCO1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.50
CSNK1G2 P78368 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.45
BTK Q06187 11/20 0.39
EPHA2 P29317 3/20 0.36
KDR P35968 3/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 1/20 0.36
CNR1 P21554 2/20 0.35
EPHB4 P54760 1/20 0.35

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
SCHEMBL14112297 0.88 CSNK1D (0.50) CSNK1DCSNK1G2IRAK4BTKEPHA2
SCHEMBL14112289 0.87 CSNK1D (0.49) CSNK1DCSNK1G2IRAK4BTKEPHA2
SCHEMBL14112290 0.85 BTK (0.49) CSNK1DCSNK1G2BTKPIK3CD
SCHEMBL14112308 0.84 CSNK1D (0.51) CSNK1DCSNK1G2BTKPIK3CDCNR1
SCHEMBL14112314 0.84 CSNK1D (0.51) CSNK1DCSNK1G2BTKPIK3CDCNR1
SCHEMBL14112303 0.83 CSNK1D (0.50) CSNK1DCSNK1G2BTKPIK3CDCNR1
SCHEMBL14112294 0.82 BTK (0.47) CSNK1DCSNK1G2BTKCNR1
SCHEMBL14112309 0.82 CSNK1D (0.49) CSNK1DCSNK1G2BTKPIK3CDCNR1
SCHEMBL14112299 0.82 CSNK1D (0.49) CSNK1DCSNK1G2BTKPIK3CDCNR1
SCHEMBL14112291 0.82 CSNK1D (0.49) CSNK1DCSNK1G2BTKEPHA2KDR

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
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 CSNK1D 1339/4885CSNK1G2 1657/4885IRAK4 226/4885

“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.