SCHEMBL1686076

SCHEMBL1686076

N#Cc1nc(N2CCNCC2)cc(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.47
MAPK11 Q15759 2/20 0.47
MAPK14 Q16539 2/20 0.47
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
PRKD1 Q15139 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADRB2 P07550 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR6 P50406 4/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL7947101 0.82 ADRB2 (0.52) CSNK1DMAPK11MAPK14KMT2ACYP1A2
SCHEMBL18404765 0.81 CSNK1D (0.47) CSNK1DMAPK11MAPK14KMT2AATM
SCHEMBL1686127 0.79 ACVR1 (0.45) CSNK1DMAPK11MAPK14KMT2ACYP1A2
SCHEMBL2967476 0.78 CSNK1D (0.60) CSNK1DMAPK11MAPK14KMT2AATM
SCHEMBL1686108 0.78 CKS1B (0.52)
SCHEMBL1686120 0.77 HTR6 (0.47) CSNK1DMAPK11MAPK14KMT2AATM
SCHEMBL10630930 0.73 ADRB1 (0.60) CSNK1DMAPK11MAPK14KMT2ACYP1A2
SCHEMBL2954143 0.73 MAPK14 (0.60) CSNK1DMAPK11MAPK14CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL2955401 0.72 MAPK14 (0.58) CSNK1DMAPK11MAPK14CYP1A2CYP2C19
SCHEMBL10465983 0.71 ADRB1 (0.68) CSNK1DMAPK11MAPK14KMT2ACYP1A2

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
EP-2307374-B1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-01-25 EP disclosed
EP-2307374-B1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-01-25 EP disclosed
US-8895562-B2 Piperazin-1-yl-trifluoromethyl-substituted-pyridines as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-8895562-B2 Piperazin-1-yl-trifluoromethyl-substituted-pyridines as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-8895562-B2 Piperazin-1-yl-trifluoromethyl-substituted-pyridines as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-20110130408-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAGE S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2011-06-02 US disclosed
US-20110130408-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAGE S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2011-06-02 US disclosed
US-20110130408-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAGE S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2011-06-02 US disclosed
EP-2307374-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2011-04-13 EP disclosed
WO-2010012758-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-04 WO disclosed
WO-2010012758-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-04 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-20110130408-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS GRIN2C, DRD2, GRIN2A CSNK1D 888/4885MAPK11 1612/4885MAPK14 2209/4885

“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.