SCHEMBL9963509

SCHEMBL9963509

CN1CCN(C(=O)CNc2nc3cc4nc(NCC(=O)N5CCCC5)sc4c(N)c3s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.52
STAT3 P40763 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
FABP4 P15090 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL9963497 0.86 PTGS2 (0.54) PTGS2STAT3L3MBTL1FABP4ALDH1A1
SCHEMBL9963508 0.86 PTGS2 (0.52) PTGS2STAT3L3MBTL1HPGDFABP4
SCHEMBL9963503 0.82 PTGS2 (0.52) PTGS2STAT3FABP4MAPTKDM1A
SCHEMBL9963675 0.80 PTGS2 (0.55) PTGS2STAT3L3MBTL1FABP4ALDH1A1
SCHEMBL9963618 0.79 PTGS2 (0.54) PTGS2STAT3L3MBTL1FABP4ALDH1A1
SCHEMBL9963627 0.78 PTGS2 (0.53) PTGS2HPGDFABP4ALDH1A1RAB9A
SCHEMBL9963483 0.76 PTGS2 (0.51) PTGS2STAT3ALDH1A1RAB9APOLB
SCHEMBL9963496 0.76 PTGS2 (0.51) PTGS2L3MBTL1HPGDFABP4ALDH1A1
SCHEMBL9963510 0.75 PTGS2 (0.54) PTGS2L3MBTL1ALDH1A1RAB9AGAA
SCHEMBL9963519 0.75 PTGS2 (0.49) PTGS2STAT3L3MBTL1HPGDFABP4

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 2402/4885L3MBTL1 739/4885

“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.