SCHEMBL2819916

SCHEMBL2819916

N#Cc1ccc(NC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
ACHE P22303 6/20 0.52
BCHE P06276 3/20 0.52
BACE1 P56817 3/20 0.52
TEAD1 P28347 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
PRKAA2 P54646 1/20 0.45
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CCR6 P51684 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
DRD4 P21917 2/20 0.42

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
SCHEMBL2821443 0.90 DRD2 (0.53) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2819124 0.88 PRKAA2 (0.56) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2820003 0.88 DRD2 (0.53) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2818891 0.87 DRD2 (0.52) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2819624 0.86 ACHE (0.53) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2821717 0.85 ACHE (0.52) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2822514 0.85 ACHE (0.67) ACHEBCHEBACE1CCNKCDK12
SCHEMBL2819979 0.85 DRD2 (0.52) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2820578 0.85 DRD2 (0.63) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2822264 0.85 DRD2 (0.63) DRD2DRD3ACHEBCHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466153-B2 Piperidinylamino-pyridazines and their use as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-18 US disclosed
US-8466153-B2 Piperidinylamino-pyridazines and their use as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-18 US disclosed
US-8466153-B2 Piperidinylamino-pyridazines and their use as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-18 US disclosed
EP-2091938-B1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-27 EP disclosed
EP-2091938-B1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-27 EP disclosed
US-20100076187-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2010-03-25 US disclosed
US-20100076187-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2010-03-25 US disclosed
US-20100076187-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2010-03-25 US disclosed
EP-2091938-A1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-26 EP disclosed
WO-2008068277-A1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
WO-2008068277-A1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 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 (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-20100076187-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A DRD2 1/4885DRD3 8/4885ACHE 300/4885

“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.