SCHEMBL845066

SCHEMBL845066

c1csc(C2CNCC[N]2)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
HTR2C P28335 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
SCHEMBL1607018 0.73 NOS3 (0.39) NOS3NOS2
SCHEMBL31370737 0.71 CHRM2 (0.46) CHRM2CHRM1CHRM3HTR2C
SCHEMBL1607449 0.71 NOS3 (0.38) NOS3NOS2
SCHEMBL3645858 0.71 CHRM2 (0.46) CHRM2CHRM1CHRM3HTR2C
SCHEMBL1254387 0.71 HTR2A (0.33) HTR2C
Hydrochloric Acid SCHEMBL3795018 0.70 CHRM2 (0.45) CHRM2CHRM1CHRM3HTR2C
SCHEMBL1607736 0.70 NOS2 (0.39) NOS3NOS2
SCHEMBL787918 0.70 CHRM2 (0.39) CHRM2CHRM1CHRM3NOS3NOS2
SCHEMBL26126165 0.70
Hydrochloric Acid SCHEMBL4573925 0.69 CHRM2 (0.38) CHRM2CHRM1CHRM3NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP claimed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO claimed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US disclosed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO disclosed
EP-2200990-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-06-30 EP disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
EP-0050965-A1 Beta-lactamase inhibitory composition Takeda Chemical Industries, Ltd. (JP) 1982-05-05 EP 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 (2 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-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CHRM2 2000/4885CHRM1 2462/4885CHRM3 1732/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA CHRM2 4022/4885CHRM1 3506/4885CHRM3 3714/4885

“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.