SCHEMBL2878014

SCHEMBL2878014

NNc1ncnc2ccsc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
AXL P30530 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
EGFR P00533 2/20 0.51
FADS1 O60427 1/20 0.51
PIP4K2C Q8TBX8 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
FLT1 P17948 1/20 0.47
AURKB Q96GD4 5/20 0.44
AURKA O14965 2/20 0.44
HTR2C P28335 1/20 0.41
BRAF P15056 1/20 0.40
TNNI3K Q59H18 1/20 0.40
TEK Q02763 2/20 0.39

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
Hydrochloric Acid SCHEMBL5642444 0.98 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL22593285 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL18878177 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567313 0.77 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL24466943 0.74 PIP4K2C (0.62) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13653497 0.74 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12609107 0.74 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL1160677 0.74 AXL (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5455935 0.73 EGFR (0.62) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4352890 0.72 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2019-10-15 US disclosed
US-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2019-01-17 US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 US disclosed
EP-2142551-B1 FUSED HETEROCYCLIC 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
EP-2142551-B1 FUSED HETEROCYCLIC 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
US-8546394-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazine 11-beta-hydroxysteroid dehydrogenase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-01 US disclosed
US-8546394-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazine 11-beta-hydroxysteroid dehydrogenase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-01 US disclosed
US-8546394-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazine 11-beta-hydroxysteroid dehydrogenase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-01 US disclosed
EP-2474549-A1 Fused heterocyclic 11-beta-hydroxysteroid dehydrogenase type I inhibitors Bristol-Myers Squibb Company (US) 2012-07-11 EP disclosed
US-20100144744-A1 FUSED HETEROCYCLIC 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-06-10 US disclosed
US-20100144744-A1 FUSED HETEROCYCLIC 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-06-10 US disclosed
US-20100144744-A1 FUSED HETEROCYCLIC 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-06-10 US disclosed
EP-2142551-A1 FUSED HETEROCYCLIC 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS Bristol-Myers Squibb Company (US) 2010-01-13 EP disclosed
WO-2008130951-A1 FUSED HETEROCYCLIC 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-30 WO disclosed
WO-2008130951-A1 FUSED HETEROCYCLIC 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-30 WO disclosed
US-7285556-B2 Thienopyrimidine-based inhibitors of the src family BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2007-10-23 US disclosed
US-20040077663-A1 Thienopyrimidine-based inhibitors of the src family NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-22 US disclosed
EP-1409491-A2 THIENOPYRIMIDINE-BASED INHIBITORS OF THE SRC FAMILY Board of Regents, The University of Texas System (US) 2004-04-21 EP disclosed
WO-2002057271-A2 THIENOPYRIMIDINE-BASED INHIBITORS OF THE SRC FAMILY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-07-25 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-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 PDE4A 2699/4885PDE4B 2017/4885PDE4C 3198/4885
US-20100144744-A1 FUSED HETEROCYCLIC 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS HSD17B1, HSD11B1, HSD3B1 PDE4A 2168/4885PDE4B 2485/4885PDE4C 2966/4885
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, DPM1, NOX1 PDE4A 2699/4885PDE4B 2017/4885PDE4C 3198/4885
US-20040077663-A1 Thienopyrimidine-based inhibitors of the src family SRC, LCK, FYN PDE4A 2821/4885PDE4B 3077/4885PDE4C 3303/4885
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 PDE4A 2699/4885PDE4B 2017/4885PDE4C 3198/4885

“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.