SCHEMBL2897541

SCHEMBL2897541

COc1nccc(Oc2cc[c]cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NOS2 P35228 3/20 0.33
MAPK9 P45984 2/20 0.33
MAPK10 P53779 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
MAP4K4 O95819 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
SCHEMBL2900107 0.81 P2RX3 (0.33) P2RX3CCR1CCR5CCR8L3MBTL1
SCHEMBL2903343 0.79 ALOX5AP (0.34) P2RX3MEN1ALDH1A1KMT2ARAB9A
SCHEMBL2900179 0.77 PLAAT3 (0.38) P2RX3L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL12015 0.76 CCR1 (0.41) CCR1CCR5CCR8L3MBTL1RAB9A
SCHEMBL29520064 0.76 CCR1 (0.41) CCR1CCR5CCR8L3MBTL1RAB9A
SCHEMBL27990718 0.74 CCR1 (0.40) CCR1CCR5CCR8L3MBTL1RAB9A
SCHEMBL2900554 0.74 L3MBTL1 (0.70) L3MBTL1MEN1ALDH1A1KMT2ANPSR1
SCHEMBL28815700 0.72 PDPK1 (0.47) CCR1CCR5CCR8L3MBTL1MEN1
SCHEMBL11754246 0.70 SMN1; SMN2 (0.52) P2RX3ALDH1A1KMT2ARAB9ANPC1
SCHEMBL2103266 0.70 MEN1 (0.57) MEN1ALDH1A1KMT2ARAB9AHTT

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 P2RX3 620/4885CCR1 4476/4885CCR5 4437/4885

“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.