SCHEMBL2897684

SCHEMBL2897684

COCc1cccnc1-c1nc[c]s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALOX12 P18054 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR9 P51686 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNA5 P22460 1/20 0.30
ADRA1A P35348 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2897576 0.75 KDM4E (0.38) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL2903496 0.72 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL2897942 0.71 DPP4 (0.36) TDP1GAA
SCHEMBL17084671 0.71 ALDH1A1 (0.59) KDM4EHTTNPC1RAB9ANPSR1
SCHEMBL8357655 0.69 NPC1 (0.47) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL9952500 0.68 BTK (0.43) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL17531788 0.68 CYP2A6 (0.56) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL792165 0.68 CCR9 (0.45) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL17084669 0.68 KCNA5 (0.60) NPC1RAB9ASMN1; SMN2USP2ALOX15
SCHEMBL17084668 0.67 ALDH1A1 (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.