SCHEMBL2901154

SCHEMBL2901154

Clc1cccnc1-c1cnn(Cc2cc[c]cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CREBBP Q92793 4/20 0.39
KCNH2 Q12809 3/20 0.39
CNR2 P34972 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PGK1 P00558 1/20 0.36
KDM5B Q9UGL1 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DYRK1B Q9Y463 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
SCHEMBL2901239 0.82 L3MBTL1 (0.51) L3MBTL1ADORA2AADORA1CREBBPKCNH2
SCHEMBL2900642 0.78 CREBBP (0.52) L3MBTL1ADORA2AADORA1CREBBPMAPK1
SCHEMBL2900601 0.75 NPC1 (0.38) L3MBTL1CNR2ALDH1A1
SCHEMBL3289673 0.74 L3MBTL1 (0.56) L3MBTL1ADORA2AADORA1CREBBPCNR2
SCHEMBL10094636 0.73 L3MBTL1 (0.59) L3MBTL1ADORA2AADORA1CREBBPKDM5B
SCHEMBL30980826 0.72 PIM1 (0.43) L3MBTL1KCNH2CNR2KDM5B
SCHEMBL31276671 0.71 CNR2 (0.48) CNR2
SCHEMBL10094468 0.70 L3MBTL1 (0.55) L3MBTL1ADORA2AADORA1CREBBPKDM5B
SCHEMBL4784136 0.69 L3MBTL1 (0.60) L3MBTL1ADORA2AADORA1CREBBPCYP2C9
SCHEMBL22349811 0.68 CNR2 (0.42) CNR2KDM5BKMT2A

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 L3MBTL1 1263/4885ADORA2A 536/4885ADORA1 156/4885

“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.