SCHEMBL1335904

SCHEMBL1335904

[c]1nccnc1-c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
LMNA P02545 3/20 0.52
CCR1 P32246 3/20 0.52
CCR5 P51681 3/20 0.52
CCR8 P51685 3/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
TP53 P04637 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
NPC1 O15118 6/20 0.45
RAB9A P51151 5/20 0.45
ALOX15 P16050 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL1838167 0.76 TP53 (0.33) TP53
SCHEMBL559143 0.74 MTOR (0.39) TP53NPC1RAB9ASMN1; SMN2PKM
SCHEMBL584984 0.73 KDM4E (0.31) KDM4ETP53TDP1
SCHEMBL1450475 0.72 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1008860 0.72 CYP1A2 (0.38) KDM4ECYP1A2NPC1RAB9AHTT
Dipyridyl SCHEMBL29907716 0.71 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL5922 0.71 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29351528 0.71 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.71 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
SCHEMBL580823 0.69 KDM4E (0.75) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360730-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2017-12-21 US claimed
US-9325037-B2 Hetero-ionic aromatic additives for electrochemical cells comprising a metal fuel FLUIDIC, INC. (US) 2016-04-26 US claimed
US-9312572-B2 Synergistic additives for electrochemical cells with electrodeposited fuel FLUIDIC, INC. (US) 2016-04-12 US claimed
EP-2971259-A1 SYNERGISTIC ADDITIVES FOR ELECTROCHEMICAL CELLS WITH ELECTRODEPOSITED FUEL Fluidic, Inc. (US) 2016-01-20 EP claimed
EP-2973627-A2 HETERO-IONIC AROMATIC ADDITIVES FOR ELECTROCHEMICAL CELLS COMPRISING A METAL FUEL Fluidic, Inc. (US) 2016-01-20 EP claimed
CN-105209666-A Synergistic additives for electrochemical cells with electrodeposited fuel FLUIDIC INC 2015-12-30 CN claimed
WO-2014160144-A1 SYNERGISTIC ADDITIVES FOR ELECTROCHEMICAL CELLS WITH ELECTRODEPOSITED FUEL FLUIDIC, INC. (US) 2014-10-02 WO claimed
WO-2014160087-A2 HETERO-IONIC AROMATIC ADDITIVES FOR ELECTROCHEMICAL CELLS COMPRISING A METAL FUEL FLUIDIC, INC. (US) 2014-10-02 WO claimed
US-20140266055-A1 HETERO-IONIC AROMATIC ADDITIVES FOR ELECTROCHEMICAL CELLS COMPRISING A METAL FUEL FLUIDIC, INC. (US) 2014-09-18 US claimed
US-20140266056-A1 SYNERGISTIC ADDITIVES FOR ELECTROCHEMICAL CELLS WITH ELECTRODEPOSITED FUEL FLUIDIC, INC. (US) 2014-09-18 US claimed
WO-2013009827-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO claimed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP claimed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US claimed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO claimed
EP-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP claimed
EP-1556384-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP claimed
WO-2004018472-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-04 WO claimed
EP-1355884-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP claimed
WO-2002060875-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO claimed
US-5952351-A DERIVATIVES OF 1,1,3-TRIOXO-2-((2-OXOBENZIMIDAZOLIN- OR BENZOXAZOLIN-2-YL)-PIPERIDIN-4,1-YLENE-)-1,2-BENZISOTHIAZOLE; TREATMENT OF BENIGN PROSTATIC HYPERPLASIA; SELECTIVE RELAXATION OF SMOOTH MUSCLE WITHOUT INDUCING HYPOTENSION MERCK & CO., INC. (US) 1999-09-14 US claimed

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-20170360730-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, TBXA2R KDM4E 4698/4885LMNA 853/4885CCR1 982/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B KDM4E 2352/4885LMNA 222/4885CCR1 846/4885

“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.