SCHEMBL4881962

SCHEMBL4881962

O=C(CNc1ncnc2cc(Cl)c(Cl)cc12)N1CCC2(C1)OCCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.58
CSNK1G2 P78368 1/20 0.58
EGFR P00533 1/20 0.39
EPHA2 P29317 4/20 0.38
KDR P35968 4/20 0.38
EPHB4 P54760 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
ALPL P05186 1/20 0.37
CDK1 P06493 1/20 0.36
BTK Q06187 1/20 0.36
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 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
SCHEMBL15787089 0.76 CSNK1D (0.54) CSNK1DCSNK1G2CDK1BTK
SCHEMBL15787090 0.76 CSNK1D (0.54) CSNK1DCSNK1G2CDK1BTK
SCHEMBL4071462 0.76 CSNK1D (0.51) CSNK1DCSNK1G2EPHA2KDREPHB4
SCHEMBL4883051 0.74 CSNK1D (1.00) CSNK1DCSNK1G2EGFREPHA2KDR
SCHEMBL14112289 0.73 CSNK1D (0.49) CSNK1DCSNK1G2EGFREPHA2KDR
SCHEMBL14112296 0.72 CSNK1D (0.50) CSNK1DCSNK1G2EPHA2KDREPHB4
SCHEMBL14112290 0.72 BTK (0.49) CSNK1DCSNK1G2EGFRBTK
SCHEMBL14112308 0.71 CSNK1D (0.51) CSNK1DCSNK1G2BTK
SCHEMBL14112297 0.71 CSNK1D (0.50) CSNK1DCSNK1G2EPHA2KDRBTK
SCHEMBL14112303 0.71 CSNK1D (0.50) CSNK1DCSNK1G2BTK

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 6 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-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
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

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 1657/4885EGFR 1409/4885

“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.