SCHEMBL1844328

SCHEMBL1844328

CCOC(=O)c1ccc(N2CCN(c3nnc(Cl)c4c3CCCC4)CC2)nc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 13/20 0.52
▸ OGA O60502 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ SGPL1 O95470 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMO Q99835 1/20 0.42

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
SCHEMBL3606423 0.85 P2RY12 (0.59) P2RY12OGAHRH3SGPL1KMT2A
SCHEMBL13491145 0.82 SMO (0.63) P2RY12HRH3SGPL1SMO
SCHEMBL13491029 0.82 SMO (0.47) HRH3SMO
SCHEMBL13491143 0.82 SMO (0.62) P2RY12HRH3SGPL1SMO
SCHEMBL13491027 0.79 SMO (0.44) OGAKMT2AMEN1SMO
SCHEMBL2820792 0.79 P2RY12 (0.64) P2RY12OGAHRH3KMT2AMEN1
SCHEMBL7469230 0.78 P2RY12 (0.63) P2RY12OGAHRH3KMT2AMEN1
SCHEMBL13491028 0.77 SMO (0.47) OGAKMT2AMEN1SMO
SCHEMBL9210857 0.77 P2RY12 (0.65) P2RY12OGAHRH3SGPL1KMT2A
SCHEMBL7529775 0.76 P2RY12 (0.64) P2RY12OGAHRH3SGPL1KMT2A

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 8 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-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
EP-2318389-A1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS Novartis AG (CH) 2011-05-11 — — EP disclosed
US-20100041663-A1 Organic Compounds as Smo Inhibitors NOVARTIS AG 2010-02-18 — — US disclosed
WO-2010007120-A1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2010-01-21 — — 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 (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 P2RY12 1290/4885OGA 3903/4885HRH3 373/4885
US-20100041663-A1 Organic Compounds as Smo Inhibitors SMO, GLI1, SHH P2RY12 4432/4885OGA 360/4885HRH3 1719/4885
US-20120289507-A1 ORGANIC COMPOUNDS AS SMO INHIBITORS SMO, GLI1, SHH P2RY12 4432/4885OGA 360/4885HRH3 1719/4885

“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.

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