SCHEMBL2902643

SCHEMBL2902643

COCc1cccnc1-n1c[c]cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALOX12 P18054 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1A P35348 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CASP1 P29466 1/20 0.34
OPRL1 P41146 3/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 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
SCHEMBL9432780 0.83 KDM4E (0.34) KDM4EADRA2AADRA2BADRA2C
SCHEMBL2900779 0.73
SCHEMBL2897664 0.72
SCHEMBL2458557 0.71 EPHX2 (0.51) KDM4EADRA2AADRA2BADRA2CHTR2A
SCHEMBL29432654 0.71 EPHX2 (0.51) KDM4EADRA2AADRA2BADRA2CHTR2A
SCHEMBL28799828 0.70 OPRL1 (0.43) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL27882037 0.70 OPRL1 (0.43) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL13026786 0.70 ADRA2A (0.53) KDM4EALOX12HTTNPC1RAB9A
Hydrochloric Acid SCHEMBL22217085 0.70 EPHX2 (0.50) KDM4EADRA2AADRA2BADRA2CHTR2A
SCHEMBL1806878 0.70 OPRL1 (0.47) KDM4EALOX12HTTNPC1RAB9A

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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR KDM4E 762/4885ALOX12 2606/4885HTT 2101/4885

“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.