SCHEMBL2819939

SCHEMBL2819939

N#Cc1ccc(NC2CCN(Cc3cc(F)c(F)c(F)c3)CC2)nn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
ACHE P22303 6/20 0.47
PRKAA2 P54646 1/20 0.43
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NSD2 O96028 1/20 0.40
PANK3 Q9H999 3/20 0.40
HTR2B P41595 1/20 0.40
OPRK1 P41145 1/20 0.39
MCHR1 Q99705 1/20 0.38
PARP1 P09874 1/20 0.37
TNK2 Q07912 1/20 0.37
TNK1 Q13470 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL2820760 0.90 DRD2 (0.69) DRD2DRD3ACHEPRKAA2CCNK
SCHEMBL2819296 0.90 DRD2 (0.51) DRD2DRD3ACHEPRKAA2CCNK
SCHEMBL2820697 0.87 DRD2 (0.57) DRD2DRD3ACHEPRKAA2CCNK
SCHEMBL2819124 0.86 PRKAA2 (0.56) DRD2DRD3ACHEPRKAA2CCNK
SCHEMBL2822264 0.86 DRD2 (0.63) DRD2DRD3ACHEPRKAA2CCNK
SCHEMBL2821443 0.85 DRD2 (0.53) DRD2DRD3ACHEPRKAA2CCNK
SCHEMBL2822558 0.85 ACHE (0.51) DRD2DRD3ACHEPRKAA2
SCHEMBL2822514 0.84 ACHE (0.67) ACHECCNKCDK12KDM4EGAA
SCHEMBL2820578 0.83 DRD2 (0.63) DRD2DRD3ACHEPRKAA2CCNK
SCHEMBL2818891 0.83 DRD2 (0.52) DRD2DRD3ACHEPRKAA2CCNK

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 12 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 claimed
EP-2091938-B1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-27 EP claimed
US-20100076187-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2010-03-25 US claimed
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
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.