SCHEMBL365309

SCHEMBL365309

CC(C)Oc1ccncc1C#N

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.45
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL30751778 1.00 XDH (0.45) XDHCYP11B1CYP11B2ALDH1A1SMN1; SMN2
SCHEMBL564720 0.79 CYP1A2 (0.56) ALDH1A1SMN1; SMN2HTT
SCHEMBL29530749 0.79 CYP1A2 (0.56) ALDH1A1SMN1; SMN2HTT
SCHEMBL564811 0.78 XDH (0.49) XDH
SCHEMBL26071795 0.78 CCNT1 (0.46) XDHCYP11B1CYP11B2ALDH1A1SMN1; SMN2
SCHEMBL11640386 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTT
SCHEMBL3785439 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HTT
SCHEMBL249967 0.75 CA12 (0.49) CYP11B1CYP11B2ALDH1A1SMN1; SMN2HTT
SCHEMBL29530397 0.75 CYP1A2 (0.44) ALDH1A1SMN1; SMN2HTT
SCHEMBL30557110 0.73 MKNK1 (0.34) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4422621-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF Merck Sharp & Dohme LLC (US) 2024-09-04 EP disclosed
WO-2023076133-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-04 WO disclosed
WO-2017004609-A1 THIADIAZOLE MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 WO disclosed
WO-2017004608-A1 OXADIAZOLE MODULATORS OF S1P METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 WO disclosed
US-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-8592629-B2 Sulfonamide derivatives as Nav 1.7 inhibitors PFIZER LIMITED (GB) 2013-11-26 US disclosed
EP-2593432-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-22 EP disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
WO-2012007861-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 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 (4 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 XDH 2793/4885CYP11B1 199/4885CYP11B2 143/4885
US-20120010183-A1 Chemical Compounds SCN1A, SCN1B, SCN7A XDH 2149/4885CYP11B1 611/4885CYP11B2 1266/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 XDH 2793/4885CYP11B1 199/4885CYP11B2 143/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 XDH 2793/4885CYP11B1 199/4885CYP11B2 143/4885

“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.