SCHEMBL2884033

SCHEMBL2884033

O=C(Nc1cncc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.52
TAS2R14 Q9NYV8 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.49
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
SLC22A11 Q9NSA0 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GPR35 Q9HC97 1/20 0.42
USP36 Q9P275 2/20 0.42
P2RX1 P51575 1/20 0.41
MAPT P10636 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL18247723 0.87 L3MBTL1 (0.53) ARCYP2C9MEN1KMT2AL3MBTL1
SCHEMBL28197800 0.87 AR (0.56) ARTAS2R14SCN10ACYP3A4CYP2C9
SCHEMBL13736960 0.84 TAS2R14 (0.55) ARTAS2R14SCN10ACYP3A4CYP2C9
SCHEMBL30595619 0.83 KIF11 (0.51) ARTAS2R14SCN10ACYP3A4CYP2C9
SCHEMBL28111054 0.83 AR (0.52) ARTAS2R14SCN10ACYP3A4CYP2C9
SCHEMBL18247763 0.81 L3MBTL1 (0.44) ARCYP2C9MEN1KMT2AL3MBTL1
SCHEMBL30875897 0.80 MAPT (0.68) ARTAS2R14SCN10ACYP3A4CYP2C9
SCHEMBL5572981 0.80 MAPT (0.61) MEN1LMNAKMT2AGPR35P2RX1
SCHEMBL15373443 0.79 GAA (0.43) CYP2C9SLC22A12MEN1LMNAKMT2A
SCHEMBL18247773 0.79 SMN1; SMN2 (0.48) SCN10ACYP2C9SLC22A12L3MBTL1MAPT

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-7691854-B2 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-06 US disclosed
US-7691854-B2 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-06 US disclosed
US-7691854-B2 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-06 US disclosed
EP-1537081-B1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2008-10-15 EP disclosed
EP-1537081-B1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2008-10-15 EP disclosed
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 US disclosed
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 US disclosed
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 US disclosed
EP-1537081-A1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer HealthCare AG (DE) 2005-06-08 EP disclosed
WO-2004020412-A1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 WO disclosed
WO-2004020412-A1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 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-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors SERPINB1, ELANE, MPO AR 4695/4885TAS2R14 4688/4885SCN10A 736/4885

“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.