SCHEMBL2079602

SCHEMBL2079602

CC(C)(C)OC(=O)N1CCC(Nc2cc(-c3ccc(F)cc3F)c3ccnc(-c4ccccc4Cl)c3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.49
DGAT2 Q96PD7 4/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
SYK P43405 1/20 0.43
GPR119 Q8TDV5 1/20 0.41
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CCNA1 P78396 1/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
MAPK14 Q16539 1/20 0.39
IDO1 P14902 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2080714 0.93 CCNT1 (0.51) CCNT1DGAT2CNR1CNR2SYK
SCHEMBL2080030 0.92 SYK (0.46) CCNT1CNR1CNR2SYKGPR119
SCHEMBL2078674 0.89 CCNT1 (0.48) CCNT1CNR1CNR2SYKGPR119
SCHEMBL4395599 0.86 ATR (0.46) CCNT1DGAT2CNR1CNR2CCNA2
SCHEMBL2079685 0.85 MAPK14 (0.52) CCNT1DGAT2CNR1CNR2GPR119
SCHEMBL2077816 0.81 MAPK14 (0.58) CCNT1CNR1CNR2GPR119MAPK14
SCHEMBL2079157 0.80 MAPK14 (0.56) CCNT1MAPK14
SCHEMBL2079311 0.80 MAPK14 (0.53) CCNT1CNR1CNR2SYKGPR119
SCHEMBL2078410 0.79 GPR119 (0.42) CCNT1GPR119LMNAMAPK14IDO1
SCHEMBL2079175 0.78 ATR (0.46) CCNT1CNR1CNR2CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906530-B2 1,7-naphthyridine derivatives as p38 MAP kinase inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2011-03-15 US disclosed
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-09 US disclosed
EP-2049537-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS Laboratorios Almirall, S.A. (ES) 2009-04-22 EP disclosed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 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-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 CCNT1 661/4885DGAT2 3945/4885CNR1 3537/4885

“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.