SCHEMBL2903358

SCHEMBL2903358

COCc1[c]cnn1-c1ncccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.36
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GCK P35557 3/20 0.33
TRPA1 O75762 4/20 0.33
TRPV1 Q8NER1 1/20 0.32
KCNH2 Q12809 4/20 0.32
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
OPRL1 P41146 3/20 0.31
BACE1 P56817 1/20 0.31
RBP4 P02753 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
SCHEMBL2901900 0.84 KDM4E (0.33) KDM4ENPC1ALOX12HTTRAB9A
SCHEMBL2900240 0.82 EPHX2 (0.40) CYP17A1TRPV1HSD11B1RBP4
SCHEMBL2901115 0.81 KDM4E (0.32) KDM4ENPC1ALOX12HTTRAB9A
SCHEMBL2896694 0.79 PDE4B (0.40) SMN1; SMN2
SCHEMBL2902841 0.78 KDM4E (0.33) KDM4ENPC1ALOX12HTTRAB9A
SCHEMBL2900617 0.77 CYP17A1 (0.42) CYP17A1CYP1A2TRPA1TRPV1KCNH2
SCHEMBL2902892 0.77 P2RX7 (0.41)
SCHEMBL2897564 0.76 CYP17A1 (0.36) CYP17A1CYP1A2GCKTRPA1TRPV1
SCHEMBL2901143 0.75 CYP17A1 (0.37) CYP17A1CYP1A2GCKTRPA1TRPV1
SCHEMBL2903009 0.75 CYP17A1 (0.35) CYP17A1CYP1A2GCKTRPA1TRPV1

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 CYP17A1 4454/4885CYP1A2 29/4885KDM4E 762/4885

“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.