SCHEMBL2897754

SCHEMBL2897754

Cc1ccc(Oc2cc[c]cn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
GRM5 P41594 4/20 0.39
HTR2C P28335 1/20 0.37
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TGFBR1 P36897 1/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2894972 0.82 MEN1 (0.52) MAP4K4KMT2AKDM4EMAPT
SCHEMBL19211769 0.81 CHRNA3 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19211767 0.81 MEN1 (0.36) KMT2AKDM4ECHRNB2CHRNA4
SCHEMBL19211880 0.79 KDM4E (0.41) KMT2AKDM4ECHRNB2CHRNA4MAPT
SCHEMBL2903058 0.79 MEN1 (0.44) MAP4K4KMT2AKDM4EMAPT
SCHEMBL1446447 0.78 MAP4K4 (0.41) MAP4K4GRM5KMT2ATGFBR1CHRNB2
SCHEMBL1711885 0.78 LMNA (0.49) MAP4K4KMT2ACHRNB2CHRNA4MAPT
SCHEMBL2900123 0.77 ALDH1A1 (0.40) KMT2AKDM4EMAPT
SCHEMBL8736739 0.75 KDM4E (0.50) MAP4K4GRM5HTR2CKMT2AKDM4E
SCHEMBL1712271 0.75 MEN1 (0.50) KMT2AKDM4E

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 MAP4K4 2930/4885GRM5 455/4885HTR2C 3115/4885

“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.