SCHEMBL2902854

SCHEMBL2902854

COc1cc[c]cc1-n1ccc(-c2ccccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
CRHR1 P34998 3/20 0.38
ATM Q13315 4/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
KLK3 P07288 1/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
APLNR P35414 1/20 0.35
CYP1A2 P05177 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
METAP1 P53582 1/20 0.35
BLM P54132 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL2895222 0.87 CYP19A1 (0.31) CRHR1ATM
SCHEMBL2902619 0.78 GRM5 (0.45) GRM5ATMTRPM8KDM4ESMN1; SMN2
SCHEMBL2900720 0.73 MEN1 (0.39) KDM4ELMNACYP1A2MAPTALDH1A1
SCHEMBL3921053 0.70 GRM5 (0.51) GRM5SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL30795000 0.70 GRM5 (0.51) GRM5SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL2897530 0.68 DYRK1B (0.37) GRM5
SCHEMBL24871051 0.68 CA1 (0.43) GRM5CRHR1KDM4EMETAP1DCTPP1
SCHEMBL30794908 0.68 GRM5 (0.58) GRM5CRHR1KDM4ESMN1; SMN2LMNA
SCHEMBL3463942 0.67 GRM5 (0.55) GRM5KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL30795324 0.67 GRM5 (0.64) GRM5KDM4ESMN1; SMN2LMNAPOLB

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 GRM5 455/4885CRHR1 3874/4885ATM 1715/4885

“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.