SCHEMBL2937858

SCHEMBL2937858

c1ccc(COc2cccc3ccccc23)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ABCB1 P08183 1/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
KCNA3 P22001 1/20 0.51
SYK P43405 7/20 0.51
AURKB Q96GD4 3/20 0.50
INCENP Q9NQS7 3/20 0.50
HTR1B P28222 3/20 0.50
MRGPRX4 Q96LA9 1/20 0.49

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
SCHEMBL1100989 0.81 RAB9A (0.60) KDM4EALDH1A1HPGDABCB1HTR1A
SCHEMBL28898625 0.80 FFAR1 (0.42) NISCHKDM4EALDH1A1HPGDTDP1
SCHEMBL21199319 0.77 SMN1; SMN2 (0.66) KDM4EALDH1A1HPGDTDP1ABCB1
SCHEMBL1004347 0.77 CYSLTR1 (0.61) KCNA3HTR1B
SCHEMBL21795756 0.77 SYK (0.60) KDM4EALDH1A1HPGDTDP1ABCB1
SCHEMBL5789318 0.76 ALDH1A1 (0.55) NISCHKDM4EALDH1A1HPGDTDP1
SCHEMBL9574720 0.76 HTR1B (0.58) NISCHKDM4EALDH1A1HPGDTDP1
SCHEMBL9574725 0.76 MAPT (0.67) NISCHKDM4EALDH1A1HPGDTDP1
SCHEMBL31473925 0.75 MAOA (0.51) KDM4EALDH1A1HPGDABCB1HTR1A
SCHEMBL9770352 0.75 KCNA3 (0.81) TDP1MEN1KMT2AKCNA3HTR1B

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790723-B2 Thiazole derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2010-09-07 US disclosed
EP-1343769-B1 BENZOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2010-08-04 EP disclosed
EP-1511737-B1 ARYLOXIMES MERCK PATENT GMBH (DE) 2010-02-17 EP disclosed
EP-1509506-B1 PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2009-08-05 EP disclosed
US-7563790-B2 Pyridazine derivatives MERCK PATENT GMBH (DE) 2009-07-21 US disclosed
US-7544684-B2 Hydrazono-malonitriles MERCK PATENT GMBH (DE) 2009-06-09 US disclosed
US-7498334-B2 Pyrrolopyrimidines as phosphodiesterase VII inhibitors MERCK PATENT GMBH (DE) 2009-03-03 US disclosed
US-7470687-B2 Aryl oximes MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7312328-B2 Benzoylpyridazines MERCK PATENT GMBH (DE) 2007-12-25 US disclosed
EP-1252157-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-09-05 US disclosed
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. 2002-08-15 US disclosed
WO-2002060875-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
WO-2002060896-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
WO-2002060898-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
EP-1229034-A1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes Pfizer Products Inc. (US) 2002-08-07 EP disclosed
WO-2002051814-A1 BENZOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2002-07-04 WO disclosed
WO-2001057025-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 WO disclosed
WO-2001057036-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 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 (2 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-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, PDE4A NISCH 4565/4885KDM4E 3107/4885ALDH1A1 434/4885
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 NISCH 2349/4885KDM4E 1270/4885ALDH1A1 457/4885

“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.