SCHEMBL642009

SCHEMBL642009

NC(=NO)c1ccc(F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.45
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
RECQL P46063 1/20 0.42
IDO1 P14902 1/20 0.41
GRIN2B Q13224 2/20 0.41
TRPA1 O75762 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38

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
SCHEMBL642008 1.00 KDM1A (0.45) KDM1AITGB3ITGAVRECQLIDO1
SCHEMBL5526283 1.00 KDM1A (0.45) KDM1AITGB3ITGAVRECQLIDO1
SCHEMBL30714433 0.85 KDM1A (0.45) KDM1ARECQLGRIN2BKMT2AKCNQ3
SCHEMBL29499471 0.85 KDM1A (0.45) KDM1ARECQLGRIN2BKMT2AKCNQ3
SCHEMBL22394813 0.85 KDM1A (0.45) KDM1ARECQLGRIN2BKMT2AKCNQ3
SCHEMBL4587247 0.85 KDM1A (0.45) KDM1ARECQLGRIN2BKMT2AKCNQ3
SCHEMBL29875534 0.85 KDM1A (0.45) KDM1ARECQLGRIN2BKMT2AKCNQ3
SCHEMBL22394821 0.85 KDM1A (0.45) KDM1ARECQLGRIN2BKMT2AKCNQ3
SCHEMBL21182036 0.83 ITGB3 (0.44) ITGB3ITGAVIDO1GRIN2BMEN1
SCHEMBL14829243 0.82 NPFFR2 (0.52) KDM1ARECQLGRIN2BMEN1MAPT

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
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
US-8519149-B2 Tricyclic compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
WO-2012055995-A1 TRICYCLIC COMPOUNDS AS MPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-05-03 WO disclosed
US-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2012-05-03 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 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 (5 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 KDM1A 3906/4885ITGB3 2163/4885ITGAV 3433/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 KDM1A 3172/4885ITGB3 1496/4885ITGAV 2975/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 KDM1A 3172/4885ITGB3 1496/4885ITGAV 2975/4885
US-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors PTGES, PTGS1, PTGIS KDM1A 2551/4885ITGB3 4863/4885ITGAV 4850/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 KDM1A 3906/4885ITGB3 2163/4885ITGAV 3433/4885

“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.