SCHEMBL1579976

SCHEMBL1579976

FC(F)(F)c1nnc(N2CCNCC2)cc1C=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.41
CSNK1D P48730 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 1/20 0.40
ADRB2 P07550 3/20 0.40
CYP2C9 P11712 1/20 0.38
PLD1 Q13393 1/20 0.38
HTR3E A5X5Y0 3/20 0.37
HTR3B O95264 3/20 0.37
HTR2C P28335 3/20 0.37
HTR3A P46098 3/20 0.37
HTR3D Q70Z44 3/20 0.37
HTR3C Q8WXA8 3/20 0.37
SIGMAR1 Q99720 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR1D P28221 1/20 0.37
NCF1 P14598 1/20 0.37
BPTF Q12830 2/20 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
SCHEMBL1579973 1.00 ADRB1 (0.41) ADRB1CSNK1DMAPK11MAPK14CYP1A2
SCHEMBL1579251 0.89 BPTF (0.43) ADRB1CSNK1DMAPK11MAPK14CYP1A2
SCHEMBL1579254 0.89 BPTF (0.43) ADRB1CSNK1DMAPK11MAPK14CYP1A2
SCHEMBL1579440 0.89 BPTF (0.43) ADRB1CSNK1DMAPK11MAPK14CYP1A2
SCHEMBL1579989 0.85 HRH4 (0.43) CSNK1DMAPK14CYP1A2CYP2C19SIGMAR1
SCHEMBL27836317 0.79 ADRB1 (0.43) ADRB1CSNK1DMAPK11MAPK14CYP1A2
SCHEMBL1579220 0.78 HSD11B1 (0.43) ALDH1A1MAPTKDM4EMAPK1
SCHEMBL1579604 0.77 ALDH1A1 (0.44) CYP1A2CYP2C19ALDH1A1KDM4EHTT
SCHEMBL1579606 0.77 ALDH1A1 (0.44) CYP1A2CYP2C19ALDH1A1KDM4EHTT
SCHEMBL2954143 0.77 MAPK14 (0.60) ADRB1CSNK1DMAPK11MAPK14CYP1A2

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-8530474-B2 Substituted 6-(1-piperazinyl)-pyridazines as 5-HT6 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-10 US disclosed
EP-2310374-B1 SUBSTITUTED 6- (1-PIPERAZINYL) -PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-10-31 EP disclosed
US-20110112107-A1 SUBSTITUTED 6-(1-PIPERAZINYL)-PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2011-05-12 US disclosed
EP-2310374-A1 SUBSTITUTED 6- (1-PIPERAZINYL) -PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS Janssen Pharmaceutica N.V. (BE) 2011-04-20 EP disclosed
WO-2010000456-A1 SUBSTITUTED 6- (1-PIPERAZINYL) -PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 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-20110112107-A1 SUBSTITUTED 6-(1-PIPERAZINYL)-PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS HTR6, HTR5A, HTR1A ADRB1 112/4885CSNK1D 1971/4885MAPK11 3338/4885

“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.