SCHEMBL2218705

SCHEMBL2218705

O=c1nc(-c2cc(-c3ccc(Cl)cc3C(F)(F)F)ccn2)[nH]o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
PDE3B Q13370 6/20 0.38
PDE3A Q14432 6/20 0.38
EEF2K O00418 1/20 0.37
PLK1 P53350 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
SCN9A Q15858 2/20 0.34
SLC40A1 Q9NP59 1/20 0.34
GRM5 P41594 1/20 0.34
TGFBR1 P36897 1/20 0.34
ROS1 P08922 1/20 0.34
JAK2 O60674 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP14 Q460N5 1/20 0.32
PARP10 Q53GL7 1/20 0.32

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
SCHEMBL2218335 0.88 TRPA1 (0.43) PDE3BPDE3AGRM5TGFBR1
SCHEMBL1935549 0.88 ALOX5AP (0.40) PDE3BPDE3AAKR1C3AKR1C2SCN9A
SCHEMBL1935091 0.85 TGFBR1 (0.47) AKR1C3SCN9AGRM5TGFBR1
SCHEMBL1935552 0.84 AKR1C3 (0.38) PDE3BPDE3AAKR1C3AKR1C2TGFBR1
SCHEMBL1935744 0.81 TRPA1 (0.43) PDE3BPDE3ASCN9ATGFBR1ROS1
SCHEMBL1934823 0.81 JAK2 (0.39) SCN9ATGFBR1JAK2MAPKAPK2PARP10
SCHEMBL1934736 0.81 KMO (0.46) PDE3BPDE3AMAPKAPK2
SCHEMBL2220256 0.80 TGFBR1 (0.40) PDE3BPDE3ASCN9ATGFBR1
SCHEMBL12439870 0.80 KMO (0.44) KDM4CPDE3BPDE3AEEF2KPLK1
SCHEMBL1935205 0.80 JAK2 (0.40) TGFBR1JAK2S1PR1S1PR3MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US 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 KDM4C 111/4885PDE3B 912/4885PDE3A 863/4885

“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.