SCHEMBL1579904

SCHEMBL1579904

O=C(c1ccccc1)c1cc(N2CCNCC2)nnc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 3/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
HTR6 P50406 1/20 0.46
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRB1 P08588 2/20 0.40
CSNK1D P48730 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2C9 P11712 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
ADRB2 P07550 2/20 0.39
CYP3A4 P08684 1/20 0.39
SCN9A Q15858 1/20 0.38
HRH4 Q9H3N8 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
SCHEMBL27836318 0.89 ADRB1 (0.43) ALDH1A1KDM4EMEN1KMT2AADRB1
SCHEMBL1579971 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10USP2TSHRKDM4E
SCHEMBL12635660 0.79 CKS1B (0.48) ALDH1A1HSD17B10TSHRKDM4EMEN1
SCHEMBL2954143 0.76 MAPK14 (0.60) ALDH1A1HTR6ADRB1CSNK1DMAPK11
SCHEMBL1579236 0.76 TAAR1 (0.45) ALDH1A1HTR6ADRB1CSNK1DMAPK11
SCHEMBL27202075 0.75 ALDH1A1 (0.47) ALDH1A1HSD17B10USP2TSHRHTR6
Hydrochloric Acid SCHEMBL2955401 0.75 MAPK14 (0.58) ALDH1A1HTR6ADRB1CSNK1DMAPK11
SCHEMBL1579941 0.74 HTR6 (0.52) HTR6
SCHEMBL1579900 0.74 MAPK11 (0.40) ALDH1A1MEN1KMT2AADRB1CSNK1D
SCHEMBL27202080 0.73 ALDH1A1 (0.43) ALDH1A1HSD17B10USP2TSHRHTR6

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 9 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
US-8530474-B2 Substituted 6-(1-piperazinyl)-pyridazines as 5-HT6 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-10 US disclosed
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
US-20110112107-A1 SUBSTITUTED 6-(1-PIPERAZINYL)-PYRIDAZINES AS 5-HT6 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2011-05-12 US 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 ALDH1A1 1544/4885HSD17B10 4065/4885USP2 3835/4885

“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.