SCHEMBL2822264

SCHEMBL2822264

N#Cc1ccc(NC2CCN(Cc3ccc(C(F)(F)F)c(F)c3)CC2)nn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.63
DRD3 P35462 1/20 0.63
JAK2 O60674 3/20 0.43
JAK1 P23458 3/20 0.43
TYK2 P29597 2/20 0.43
JAK3 P52333 2/20 0.43
ACHE P22303 5/20 0.43
PRKAA2 P54646 1/20 0.42
HTR2B P41595 1/20 0.40
SSTR5 P35346 1/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
KCNH2 Q12809 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
CXCR3 P49682 1/20 0.39
DRD4 P21917 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL2820578 0.92 DRD2 (0.63) DRD2DRD3JAK2JAK1TYK2
SCHEMBL2820760 0.89 DRD2 (0.69) DRD2DRD3JAK2JAK1TYK2
SCHEMBL2821574 0.87 DRD2 (0.54) DRD2DRD3JAK2JAK1TYK2
SCHEMBL2820697 0.86 DRD2 (0.57) DRD2DRD3ACHEPRKAA2HTR2B
SCHEMBL2819939 0.86 DRD2 (0.55) DRD2DRD3ACHEPRKAA2HTR2B
SCHEMBL27759410 0.85 DRD2 (0.45) DRD2DRD3JAK2JAK1TYK2
SCHEMBL2819916 0.85 DRD2 (0.54) DRD2DRD3ACHEPRKAA2CCNK
SCHEMBL2821443 0.84 DRD2 (0.53) DRD2DRD3JAK2JAK1JAK3
SCHEMBL2819124 0.83 PRKAA2 (0.56) DRD2DRD3ACHEPRKAA2SSTR5
SCHEMBL2820003 0.83 DRD2 (0.53) DRD2DRD3ACHEDRD4BCHE

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 5 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
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
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

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 8/4885JAK2 1694/4885

“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.