SCHEMBL6799074

SCHEMBL6799074

Nc1cccnc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.66
AR P10275 1/20 0.66
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 1/20 0.64
GMNN O75496 1/20 0.64
TTR P02766 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
PKM P14618 1/20 0.64
NFKB1 P19838 1/20 0.64
UGT1A1 P22309 1/20 0.64
PTGS1 P23219 1/20 0.64
PTGS2 P35354 1/20 0.64
PMP22 Q01453 1/20 0.64
DHODH Q02127 1/20 0.64
KMT2A Q03164 1/20 0.64
TEAD4 Q15561 1/20 0.64
HIF1A Q16665 1/20 0.64
GPR35 Q9HC97 1/20 0.64

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
SCHEMBL29532275 0.88 GRM4 (0.53) LMNAARALDH1A1MEN1GMNN
SCHEMBL24401494 0.88 GRM4 (0.53) LMNAARALDH1A1MEN1GMNN
SCHEMBL30754777 0.84 LMNA (0.65) LMNAARALDH1A1MEN1GMNN
SCHEMBL15184200 0.83 EGFR (0.57) LMNAARALDH1A1MEN1GMNN
SCHEMBL13653032 0.82 LMNA (0.66) LMNAARALDH1A1MEN1GMNN
SCHEMBL21497137 0.82 LMNA (0.67) LMNAARALDH1A1MEN1GMNN
SCHEMBL10215930 0.82 LMNA (0.64) LMNAARALDH1A1MEN1GMNN
SCHEMBL6514596 0.82 LMNA (0.64) LMNAARALDH1A1MEN1GMNN
SCHEMBL6799337 0.80 LMNA (0.63) LMNAALDH1A1RAB9APOLBEGFR
SCHEMBL13515064 0.80 CA12 (0.50) LMNAARALDH1A1MEN1GMNN

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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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 (2 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES LMNA 2591/4885AR 3594/4885ALDH1A1 3467/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 LMNA 3681/4885AR 7/4885ALDH1A1 339/4885

“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.