SCHEMBL2548958

SCHEMBL2548958

CCN(CC)c1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
MAPT P10636 5/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 5/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
APEX1 P27695 1/20 0.33
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CRHR1 P34998 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DAO P14920 1/20 0.31

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
SCHEMBL2548909 0.82 ALDH1A1 (0.48) MAPTALDH1A1HPGDATMSMN1; SMN2
SCHEMBL2543859 0.82 POLB (0.42) AGTR1AGTR2MAPTPOLBALDH1A1
SCHEMBL5559263 0.76 MAPT (0.39) AGTR1AGTR2MAPTPOLBALDH1A1
SCHEMBL9643966 0.73 MAPT (0.38) AGTR1AGTR2MAPTPOLBALDH1A1
SCHEMBL975710 0.73 MAPT (0.60) MAPTPOLBALDH1A1HPGDTSHR
SCHEMBL5546372 0.72 CCNA2 (0.45) AGTR1AGTR2MAPTPOLBALDH1A1
SCHEMBL13451548 0.72 NR1H4 (0.38) AGTR1AGTR2MAPTPOLBALDH1A1
SCHEMBL6137459 0.71 MAPT (0.40) AGTR1AGTR2MAPTPOLBALDH1A1
SCHEMBL9643819 0.71 MAPT (0.40) AGTR1AGTR2MAPTPOLBALDH1A1
SCHEMBL1778181 0.71 ALDH1A1 (0.55) MAPTPOLBALDH1A1HPGDTSHR

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-8507490-B2 Tetrasubstituted pyridazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-08-13 US disclosed
US-8507490-B2 Tetrasubstituted pyridazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-08-13 US disclosed
US-8507490-B2 Tetrasubstituted pyridazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-08-13 US disclosed
EP-2358698-B1 TETRASUBSTITUTED PYRIDAZINE AS HEDGEHOG PATHWAY ANTAGONISTS LILLY CO ELI (US) 2012-09-05 EP disclosed
EP-2358698-B1 TETRASUBSTITUTED PYRIDAZINE AS HEDGEHOG PATHWAY ANTAGONISTS LILLY CO ELI (US) 2012-09-05 EP disclosed
US-20110263602-A1 TETRASUBSTITUTED PYRIDAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-10-27 US disclosed
US-20110263602-A1 TETRASUBSTITUTED PYRIDAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-10-27 US disclosed
US-20110263602-A1 TETRASUBSTITUTED PYRIDAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-10-27 US disclosed
WO-2010056588-A1 TETRASUBSTITUTED PYRIDAZINE 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-20110263602-A1 TETRASUBSTITUTED PYRIDAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, SMO, GLI1 AGTR1 1519/4885AGTR2 1987/4885MAPT 4803/4885

“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.