SCHEMBL943002

SCHEMBL943002

Cc1cccc(C[N]Cc2cccc(C)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CCR8 P51685 1/20 0.48
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GRIN2B Q13224 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
MBOAT4 Q96T53 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL5114165 0.86 CCR1 (0.44) CCR1CCR8NOS3NOS2HRH4
SCHEMBL24134081 0.85 CCR1 (0.43) CCR1CCR8NOS3NOS2HRH4
SCHEMBL91367 0.83
SCHEMBL30201993 0.80 CCR1 (0.52) CCR1CCR8NOS3NOS2SMN1; SMN2
SCHEMBL24916774 0.80 CCR1 (0.52) CCR1CCR8NOS3NOS2SMN1; SMN2
SCHEMBL14082023 0.80 CCR1 (0.52) CCR1CCR8NOS3NOS2SMN1; SMN2
SCHEMBL15314267 0.80 ALDH1A1 (0.40) CCR1CCR8NOS3NOS2HRH4
SCHEMBL10144469 0.78 KCNH2 (0.54) CCR1CCR8NOS3NOS2SMN1; SMN2
SCHEMBL13197263 0.77 CTH (0.44) CCR1CCR8SMN1; SMN2MEN1KMT2A
SCHEMBL943326 0.76

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513260-B2 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-08-20 US claimed
EP-2435420-B1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-04-03 EP claimed
US-20120190687-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG 2012-07-26 US claimed
US-20110021539-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-01-27 US claimed
WO-2010136145-A1 PYRAZINYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2010-12-02 WO claimed
EP-2654425-A2 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer Intellectual Property GmbH (DE) 2013-10-30 EP disclosed
US-8513260-B2 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-08-20 US disclosed
EP-2435420-B1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-04-03 EP disclosed
US-20120190687-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG 2012-07-26 US disclosed
WO-2012084852-A2 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER ANIMAL HEALTH GMBH (DE) 2012-06-28 WO disclosed
US-20110021539-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-01-27 US disclosed
EP-2266973-A1 Pyrazinylpyrazole Bayer CropScience AG (DE) 2010-12-29 EP disclosed
WO-2010136145-A1 PYRAZINYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2010-12-02 WO 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 (2 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-20110021539-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 CCR1 4016/4885CCR8 3088/4885NOS3 2702/4885
US-20120190687-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 CCR1 4016/4885CCR8 3088/4885NOS3 2702/4885

“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.