SCHEMBL1935552

SCHEMBL1935552

COc1ccc(-c2ccnc(-c3nc(=O)o[nH]3)c2)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
MAT2A P31153 1/20 0.38
EIF4E P06730 1/20 0.37
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
TEK Q02763 1/20 0.37
AKR1C4 P17516 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CDC7 O00311 2/20 0.36
LIMK1 P53667 2/20 0.36
CRHR1 P34998 2/20 0.36
ROS1 P08922 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
TGFBR1 P36897 1/20 0.34
CBFB Q13951 1/20 0.34
LIMK2 P53671 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL1935304 0.92 TEK (0.39) MAT2AEIF4ETEKCDC7ROS1
SCHEMBL1935549 0.85 ALOX5AP (0.40) AKR1C3AKR1C2EIF4EPDE3BPDE3A
SCHEMBL2218335 0.85 TRPA1 (0.43) EIF4EPDE3BPDE3ATGFBR1
SCHEMBL2218705 0.84 KDM4C (0.38) AKR1C3AKR1C2PDE3BPDE3AROS1
SCHEMBL1935091 0.82 TGFBR1 (0.47) AKR1C3TGFBR1
SCHEMBL1935554 0.81 ALDH1A1 (0.40) AKR1C3AKR1C2MAT2AEIF4EPDE3B
SCHEMBL1935744 0.78 TRPA1 (0.43) PDE3BPDE3AROS1MAPKAPK2TGFBR1
SCHEMBL1934823 0.78 JAK2 (0.39) MAPKAPK2TGFBR1CBFB
SCHEMBL2220256 0.78 TGFBR1 (0.40) PDE3BPDE3ATGFBR1
SCHEMBL1934736 0.76 KMO (0.46) PDE3BPDE3AMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2332936-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2011-06-15 EP 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 (1 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-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL C5, PRDX1, PRDX4 AKR1C3 475/4885AKR1C2 1383/4885MAT2A 3998/4885

“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.