SCHEMBL1202243

SCHEMBL1202243

Nc1cc(C2CCCC2)c(Cl)nn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.39
BACE1 P56817 1/20 0.37
CEL P19835 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
GCGR P47871 1/20 0.31
FEN1 P39748 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL15687733 0.98 TDO2 (0.41) TDO2BACE1CELTDP1HRH4
SCHEMBL31314212 0.96 TDO2 (0.35) TDO2BACE1TDP1FEN1TAAR1
SCHEMBL31314110 0.92 TDP1 (0.35) TDP1TAAR1
SCHEMBL21746571 0.84 PIK3CB (0.32) TDP1TAAR1
SCHEMBL29986193 0.80 TDP1 (0.40) TDO2CELTDP1GCGRGRM2
SCHEMBL1202161 0.80 TDP1 (0.40) TDO2CELTDP1GCGRGRM2
SCHEMBL10845597 0.78 TDP1 (0.39) TDO2CELTDP1GCGRGRM2
SCHEMBL29987339 0.78 TDP1 (0.39) TDO2CELTDP1GCGRGRM2
SCHEMBL2647857 0.76 TDP1 (0.40) CELTDP1
SCHEMBL31524176 0.76 TDP1 (0.40) CELTDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-02-24 US disclosed
EP-0781283-B1 TRIAZOLOPYRIDAZINES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-06 EP disclosed
CN-1158130-A Triazolopyridazines, their preparation and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-08-27 CN disclosed
EP-0781283-A1 TRIAZOLOPYRIDAZINES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP disclosed
WO-1996008496-A1 TRIAZOLOPYRIDAZINES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 WO disclosed
US-5482939-A ANTI-PLATELET ACTIVATING FACTOR ACTIVITIES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US 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-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 TDO2 4369/4885BACE1 4395/4885CEL 2611/4885

“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.