SCHEMBL2896902

SCHEMBL2896902

N#Cc1c[c]ccc1-n1cncn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP11B1 P15538 1/20 0.33
TSHR P16473 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2A6 P11509 1/20 0.33
S1PR3 Q99500 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
ALOX5AP P20292 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
SCHEMBL1823760 0.78 CYP19A1 (0.42) CYP19A1CYP3A4CYP2C19KDM4ECYP11B1
SCHEMBL14860915 0.77 CYP1A2 (0.43) CYP3A4CYP2C19KDM4ETSHRALDH1A1
SCHEMBL3736492 0.75 CYP2A6 (0.45) CYP19A1CYP3A4CYP2C19KDM4ECYP11B1
SCHEMBL7237526 0.74 KDM4E (0.40) KDM4EALDH1A1LMNA
SCHEMBL28093362 0.74 SMN1; SMN2 (0.41) CYP19A1CYP2C19KDM4ECYP11B2ALDH1A1
SCHEMBL1507838 0.73 CYP1A2 (0.40) CYP3A4CYP2C19KDM4ETSHRALDH1A1
SCHEMBL1842982 0.73 KDM4E (0.51) CYP19A1CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL20335430 0.73 CYP1A2 (0.40) CYP19A1CYP3A4CYP2C19S1PR3CYP1A2
SCHEMBL5475832 0.73 S1PR3 (0.45) CYP19A1KDM4EALDH1A1S1PR3
SCHEMBL2526423 0.73 CYP3A4 (0.41) CYP19A1CYP3A4CYP2C19KDM4ETSHR

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 CYP19A1 726/4885CYP3A4 87/4885CYP2C19 544/4885

“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.