SCHEMBL3201289

SCHEMBL3201289

FC(F)(F)c1ccc(N2CCN(c3nnc(Cl)c4c3CCC4)CC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.67
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1843077 0.98 SMO (0.66) SMOL3MBTL1ALDH1A1HPGDTSHR
SCHEMBL13491028 0.81 SMO (0.47) SMOHTTSMN1; SMN2HSD17B10MAPT
SCHEMBL13491030 0.81 SMO (1.00) SMOALDH1A1HPGDTSHRHTT
SCHEMBL1828972 0.81 SMO (0.68) SMOALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL13491139 0.79 SMO (0.81) SMO
SCHEMBL13491027 0.79 SMO (0.44) SMOHTTSMN1; SMN2HSD17B10MAPT
SCHEMBL13491141 0.79 SMO (0.98) SMO
SCHEMBL13491142 0.77 SMO (1.00) SMO
SCHEMBL13491029 0.77 SMO (0.47) SMO
SCHEMBL13491033 0.77 SMO (1.00) SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409871-B2 Pyridazinyl derivatives as SMO inhibitors NOVARTIS AG (CH) 2016-08-09 US disclosed
US-9409871-B2 Pyridazinyl derivatives as SMO inhibitors NOVARTIS AG (CH) 2016-08-09 US disclosed
US-20130261299-A1 PYRIDAZINYL DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-10-03 US disclosed
US-20130261299-A1 PYRIDAZINYL DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-10-03 US disclosed
US-8481542-B2 Pyridazinyl derivatives as smo inhibitors NOVARTIS AG (CH) 2013-07-09 US disclosed
EP-2318389-B1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-06-19 EP disclosed
US-20120289507-A1 ORGANIC COMPOUNDS AS SMO INHIBITORS NOVARTIS AG (CH) 2012-11-15 US disclosed
US-20120289507-A1 ORGANIC COMPOUNDS AS SMO INHIBITORS NOVARTIS AG (CH) 2012-11-15 US disclosed
US-20100041663-A1 Organic Compounds as Smo Inhibitors NOVARTIS AG 2010-02-18 US disclosed
US-20100041663-A1 Organic Compounds as Smo Inhibitors NOVARTIS AG 2010-02-18 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 (3 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-20130261299-A1 PYRIDAZINYL DERIVATIVES AS SMO INHIBITORS SMO, SHH, GLI1 SMO 1/4885L3MBTL1 913/4885ALDH1A1 2615/4885
US-20100041663-A1 Organic Compounds as Smo Inhibitors SMO, GLI1, SHH SMO 1/4885L3MBTL1 1855/4885ALDH1A1 168/4885
US-20120289507-A1 ORGANIC COMPOUNDS AS SMO INHIBITORS SMO, GLI1, SHH SMO 1/4885L3MBTL1 1855/4885ALDH1A1 168/4885

“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.