SCHEMBL2900617

SCHEMBL2900617

Cc1[c]cnn1-c1ncccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.42
CYP1A2 P05177 1/20 0.42
HSD11B1 P28845 1/20 0.38
TRPV1 Q8NER1 3/20 0.36
TRPA1 O75762 4/20 0.34
OPRL1 P41146 4/20 0.34
KCNH2 Q12809 4/20 0.34
MALT1 Q9UDY8 1/20 0.33
PHGDH O43175 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL2902790 0.78 CYP17A1 (0.39) CYP17A1CYP1A2HSD11B1TRPV1TRPA1
SCHEMBL2902651 0.77 EPHX2 (0.35) CYP17A1HSD11B1TRPV1OPRL1
SCHEMBL2893944 0.77 TRPA1 (0.41) CYP17A1CYP1A2HSD11B1TRPV1TRPA1
SCHEMBL2897578 0.77 DRD1 (0.30)
SCHEMBL2897564 0.77 CYP17A1 (0.36) CYP17A1CYP1A2HSD11B1TRPV1TRPA1
SCHEMBL2903358 0.77 CYP17A1 (0.36) CYP17A1CYP1A2HSD11B1TRPV1TRPA1
SCHEMBL2895231 0.76 CDK4 (0.36) HSD11B1
SCHEMBL2901143 0.76 CYP17A1 (0.37) CYP17A1CYP1A2HSD11B1TRPV1TRPA1
SCHEMBL2903009 0.76 CYP17A1 (0.35) CYP17A1CYP1A2HSD11B1TRPV1TRPA1
SCHEMBL1304494 0.75 PKM (0.51) CYP1A2HSD11B1

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 29/4885HSD11B1 4143/4885

“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.