SCHEMBL2828670

SCHEMBL2828670

CN(C)CCNc1cc(-c2ccc(F)cc2Cl)c2ccnc(-c3c(F)cccc3F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.39
CCNT1 O60563 1/20 0.39
TDO2 P48775 1/20 0.37
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
CDC25C P30307 1/20 0.35
CDK9 P50750 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
SOS1 Q07889 1/20 0.34
MELK Q14680 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2829345 0.82 MAPK14 (0.53) MAPK14
SCHEMBL2825585 0.79 MAPK14 (0.46) MAPK14PIM1PIM2
SCHEMBL2830969 0.76 MAPK14 (0.53) MAPK14
SCHEMBL2079070 0.72 MAPK14 (0.48) MAPK14
SCHEMBL2828324 0.72 MAPK14 (0.52) MAPK14PIM1PIM2
SCHEMBL2829080 0.71 MAPK14 (0.40) MAPK14TDO2
SCHEMBL2829347 0.71 CCNT1 (0.36) MAPK14CCNT1TDO2TMEM97SIGMAR1
SCHEMBL2079898 0.70 MAPK14 (0.61) MAPK14CCNT1CDK9
SCHEMBL2841163 0.70 MAPK14 (0.50) MAPK14TDO2PIM1PIM2
SCHEMBL2825425 0.69 MAPK14 (0.42) MAPK14TDO2PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334294-B2 4,8-diphenyl-polyazanaphthalene derivatives ALMIRALL, S.A. (ES) 2012-12-18 US claimed
EP-2146988-B1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL SA (ES) 2012-08-15 EP claimed
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 US claimed
EP-2146988-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES Almirall, S.A. (ES) 2010-01-27 EP claimed
WO-2008131922-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2008-11-06 WO claimed
US-8334294-B2 4,8-diphenyl-polyazanaphthalene derivatives ALMIRALL, S.A. (ES) 2012-12-18 US disclosed
US-8334294-B2 4,8-diphenyl-polyazanaphthalene derivatives ALMIRALL, S.A. (ES) 2012-12-18 US disclosed
US-8334294-B2 4,8-diphenyl-polyazanaphthalene derivatives ALMIRALL, S.A. (ES) 2012-12-18 US disclosed
EP-2146988-B1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL SA (ES) 2012-08-15 EP disclosed
EP-2146988-B1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL SA (ES) 2012-08-15 EP disclosed
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 US disclosed
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 US disclosed
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 US disclosed
WO-2008131922-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2008-11-06 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-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES MAPK8, MAPK4, MAP3K8 MAPK14 17/4885CCNT1 469/4885TDO2 3563/4885

“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.