SCHEMBL2079443

SCHEMBL2079443

CC(C)(C)OC(=O)CC(O)(c1ccc(F)cc1F)c1ccnc(-c2c(F)cccc2F)c1NC(=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.32
▸ P2RY1 P47900 2/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ ANO1 Q5XXA6 2/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL2081557 0.93 CCNT1 (0.34) CCNT1MAPTANO1
SCHEMBL13321786 0.93 CCNT1 (0.34) CCNT1MAPTANO1ENPP1
SCHEMBL4070987 0.89 P2RY1 (0.33) P2RY1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2079067 0.87 ABL1 (0.34) FPR2P2RY1CCNT1
SCHEMBL13321787 0.87 CCNT1 (0.35) CCNT1MAPTANO1
SCHEMBL2080175 0.87 DGAT2 (0.39) CCNT1
SCHEMBL13321788 0.86 LMNA (0.34) MAPTANO1SMN1; SMN2
SCHEMBL13321789 0.79 PDK1 (0.34) MAPTANO1
SCHEMBL13353994 0.78 CNR2 (0.33) MAPTGSK3BANO1NPC1RAB9A
SCHEMBL4072017 0.77 ABL1 (0.36) P2RY1

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 2 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

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 FPR2 3133/4885P2RY1 3075/4885CCNT1 661/4885

“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.

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