SCHEMBL2902890

SCHEMBL2902890

COCc1ccccc1-c1nc[c]s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.35
ATR Q13535 1/20 0.34
PDK2 Q15119 1/20 0.34
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
ADRA1A P35348 2/20 0.32
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX12 P18054 1/20 0.31
RAB9A P51151 1/20 0.31
CYP11B2 P19099 2/20 0.31
CYP11B1 P15538 1/20 0.31
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2897684 0.79 KDM4E (0.38) ADRA1AHTTNPSR1KDM4ENPC1
SCHEMBL28945028 0.76 ALDH1A1 (0.49) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL734879 0.73 KCNN4 (0.46) KCNN4ATRPDK2CDK2GSK3B
SCHEMBL2903039 0.71
SCHEMBL744106 0.66
SCHEMBL20878106 0.66 KCNN4 (0.42) KCNN4PDK2CDK2GSK3BNPSR1
SCHEMBL792032 0.66 DPP4 (0.54) KCNN4ATRPDK2FFAR1FFAR4
SCHEMBL29788053 0.66 DPP4 (0.54) KCNN4ATRPDK2FFAR1FFAR4
SCHEMBL648491 0.66 IDO1 (0.44) PDK2ADRA1AHTTNPSR1KDM4E
SCHEMBL2897625 0.66 HSD11B1 (0.45) MEN1ALDH1A1TSHRKMT2A

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 KCNN4 362/4885ATR 1034/4885PDK2 964/4885

“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.