SCHEMBL870366

SCHEMBL870366

O=Cc1cn2c(n1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
WDR5 P61964 7/20 0.41
PDPK1 O15530 1/20 0.40
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HDAC1 Q13547 1/20 0.33

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
SCHEMBL2928791 0.98 ALDH1A1 (0.43) ALDH1A1LMNAWDR5PDPK1NPC1
SCHEMBL2927941 0.94 WDR5 (0.46) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL20514707 0.73 ALDH1A1 (0.65) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL2716549 0.72 LMNA (0.49) ALDH1A1LMNAWDR5PDPK1NPC1
SCHEMBL2952694 0.71 MAPT (0.32) ALDH1A1MAPTGFERHSD17B10
SCHEMBL2923555 0.71
SCHEMBL5269350 0.71 PDCD1 (0.41) HDAC1HDAC2
SCHEMBL2929695 0.71 CHRM2 (0.32) ALDH1A1KMT2A
SCHEMBL2928395 0.71
SCHEMBL24880383 0.71 ALDH1A1 (0.47) ALDH1A1LMNAWDR5PDPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
WO-2009006243-A2 PROCESSES FOR PREPARING BICYCLIC OXAZINE CARBOXALDEHYDE AND BETA-LACTAMASE INHIBITORS WYETH (US) 2009-01-08 WO disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
EP-1887003-A1 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 EP disclosed
US-20060079519-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-13 US disclosed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B ALDH1A1 331/4885LMNA 3015/4885WDR5 3753/4885
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A ALDH1A1 278/4885LMNA 3905/4885WDR5 3853/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B ALDH1A1 331/4885LMNA 3015/4885WDR5 3753/4885
US-20060079519-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL1A ALDH1A1 278/4885LMNA 3905/4885WDR5 3853/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A ALDH1A1 295/4885LMNA 2838/4885WDR5 2403/4885

“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.