SCHEMBL9963503

SCHEMBL9963503

CN1CCN(C(=O)CNc2nc3cc4nc(NCC(=O)N5CCN(C)CC5)sc4c(C(F)(F)F)c3s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.52
STAT3 P40763 1/20 0.47
MAPT P10636 2/20 0.41
FABP4 P15090 1/20 0.39
KDM1A O60341 4/20 0.37
MAOA P21397 4/20 0.37
MAOB P27338 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL9963509 0.82 PTGS2 (0.52) PTGS2STAT3MAPTFABP4KDM1A
SCHEMBL9963556 0.81 PTGS2 (0.48) PTGS2STAT3MAPTFABP4KDM1A
SCHEMBL9963508 0.79 PTGS2 (0.52) PTGS2STAT3FABP4HTR1AHTR1D
SCHEMBL9963497 0.79 PTGS2 (0.54) PTGS2STAT3FABP4KDM1AMAOB
SCHEMBL9963504 0.77 TOP2A (0.38) PTGS2
SCHEMBL9963483 0.76 PTGS2 (0.51) PTGS2STAT3KDM1AMAOAMAOB
SCHEMBL9963675 0.73 PTGS2 (0.55) PTGS2STAT3FABP4KDM1AMAOB
SCHEMBL9963519 0.73 PTGS2 (0.49) PTGS2STAT3MAPTFABP4HTR1A
SCHEMBL9963618 0.72 PTGS2 (0.54) PTGS2STAT3FABP4KDM1AMAOB
SCHEMBL9963494 0.70 PTGS2 (0.45) PTGS2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PTGS2 2872/4885STAT3 2402/4885MAPT 1865/4885

“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.