SCHEMBL2215477

SCHEMBL2215477

Cc1c(Cl)nnc(NCCNCc2ccccc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
PLAU P00749 2/20 0.44
PDE10A Q9Y233 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.40
CHRM2 P08172 1/20 0.40
GAA P10253 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
TP53 P04637 1/20 0.38
SCN8A Q9UQD0 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
SCHEMBL3605345 0.77 DRD4 (0.46) MEN1KMT2ATDP1PDE10ADRD4
SCHEMBL2215763 0.77 NPSR1 (0.46) MEN1KMT2ATDP1L3MBTL1MAPT
SCHEMBL5764 0.70 MEN1 (1.00) MEN1KMT2ATDP1DRD4MAOA
Toluene SCHEMBL16880241 0.69 MEN1 (0.77) MEN1KMT2ATDP1DRD4MAOA
Water SCHEMBL4230715 0.68 MEN1 (0.94) MEN1KMT2ATDP1DRD4MAOA
SCHEMBL4922899 0.68 MEN1 (0.94) MEN1KMT2ATDP1DRD4MAOA
SCHEMBL5040570 0.68 MEN1 (0.94) MEN1KMT2ATDP1DRD4MAOA
Ammonia Solution, Strong SCHEMBL6678345 0.68 MEN1 (0.94) MEN1KMT2ATDP1DRD4MAOA
SCHEMBL4913828 0.68 MEN1 (0.94) MEN1KMT2ATDP1DRD4MAOA
Hydrochloric Acid SCHEMBL5845845 0.68 MEN1 (0.94) MEN1KMT2ATDP1DRD4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102216292-B Tetrasubstituted pyridazines HEDGEHOG pathway antagonists LILLY CO ELI 2014-08-13 CN disclosed
EP-2358703-B1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS LILLY CO ELI (US) 2013-12-25 EP disclosed
US-8445493-B2 Tetrasubstituted pyridazines hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-05-21 US disclosed
US-8445493-B2 Tetrasubstituted pyridazines hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-05-21 US disclosed
US-20110178093-A1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-07-21 US disclosed
US-20110178093-A1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-07-21 US disclosed
WO-2010056620-A1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-20 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-20110178093-A1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS SMO, SHH, GLI1 MEN1 2367/4885KMT2A 1484/4885TDP1 4749/4885

“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.