SCHEMBL2829347

SCHEMBL2829347

CN(C)CCNc1cc(-c2ccc(F)cc2Cl)c2c(n1)C(c1c(F)cccc1F)N(O)C=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.36
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
TDO2 P48775 1/20 0.34
CDK9 P50750 3/20 0.34
LCK P06239 1/20 0.32
PIM1 P11309 3/20 0.32
PIM3 Q86V86 3/20 0.32
PIM2 Q9P1W9 3/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CDC25A P30304 1/20 0.30
CDC25B P30305 1/20 0.30
CDC25C P30307 1/20 0.30
SOS1 Q07889 1/20 0.30
MAPK14 Q16539 1/20 0.30
KAT2B Q92831 1/20 0.30
HTR1A P08908 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
SCHEMBL2828670 0.71 MAPK14 (0.39) CCNT1TDO2CDK9PIM1PIM3
SCHEMBL2829345 0.70 MAPK14 (0.53) MAPK14
SCHEMBL2830969 0.65 MAPK14 (0.53) MAPK14
SCHEMBL22517595 0.56 PIM1 (0.42) TDO2PIM1PIM3PIM2
SCHEMBL11446725 0.56 CYP2C19 (0.56) PIM1
SCHEMBL10798830 0.56 TAAR1 (0.53)
SCHEMBL11447081 0.54 PIM1 (0.40) PIM1PIM3PIM2
SCHEMBL11689082 0.54 HRH3 (0.44) PIM1
SCHEMBL31067149 0.54 HSD11B1 (0.51) MAPK14HTR1AHTR7
SCHEMBL28852566 0.53 SLC6A4 (0.36) CNR2

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 8 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
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
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 US disclosed
EP-2146988-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES Almirall, S.A. (ES) 2010-01-27 EP 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 CCNT1 469/4885NMT2 2828/4885NMT1 3021/4885

“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.