SCHEMBL12439835

SCHEMBL12439835

Cc1ccccc1-c1ccnc(/C(N)=N/O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
MAPK14 Q16539 1/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
TGFBR1 P36897 1/20 0.39
CHEK1 O14757 1/20 0.39
NTRK1 P04629 1/20 0.39
PIM1 P11309 1/20 0.39
CDK2 P24941 1/20 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
SCHEMBL1935139 1.00 LCK (0.40) LCKKDRJAK3MAPK14CTSD
SCHEMBL15237942 1.00 LCK (0.40) LCKKDRJAK3MAPK14CTSD
SCHEMBL12439844 0.82 MAP4K4 (0.40) BACE1TGFBR1ALOX5APFEN1KDM1A
SCHEMBL1936004 0.82 MAP4K4 (0.40) BACE1TGFBR1ALOX5APFEN1KDM1A
SCHEMBL12439832 0.79 PLAU (0.56) CHEK1NTRK1PIM1CDK2CSNK2A1
SCHEMBL1934343 0.79 PLAU (0.56) CHEK1NTRK1PIM1CDK2CSNK2A1
SCHEMBL12439746 0.78 SCN9A (0.48) BACE1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1934839 0.78 SCN9A (0.48) BACE1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL13960027 0.76 MCL1 (0.54) ALDH1A1MCL1CTSAKDM4E
SCHEMBL1934808 0.76 SCN9A (0.52) CYP3A4CYP2D6CYP2C9ALOX5APFEN1

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 2 patents. 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
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 LCK 1332/4885KDR 4701/4885JAK3 2660/4885

“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.