SCHEMBL5849376

SCHEMBL5849376

CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(C#N)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.52
GPR119 Q8TDV5 2/20 0.47
P2RY12 Q9H244 6/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 3/20 0.45
EGLN2 Q96KS0 1/20 0.44
MAP4K4 O95819 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL5849530 0.90 KIT (0.52) KITGPR119P2RY12ALDH1A1KDM4E
SCHEMBL5851682 0.85 KIT (0.55) KITP2RY12ALDH1A1KDM4EMAPT
SCHEMBL5850542 0.84 KIT (0.54) KITP2RY12ALDH1A1KDM4EMAPT
SCHEMBL5851315 0.84 KIT (0.54) KITP2RY12ALDH1A1KDM4EMAPT
SCHEMBL5848798 0.84 KIT (0.57) KITP2RY12ALDH1A1KDM4EMAPT
SCHEMBL5849579 0.83 KIT (0.53) KITP2RY12ALDH1A1KDM4EMAPT
SCHEMBL5850552 0.82 P2RY12 (0.68) P2RY12ALDH1A1KDM4EMAPTTSHR
SCHEMBL5851715 0.80 MAPT (0.57) KITP2RY12ALDH1A1KDM4EMAPT
SCHEMBL5848640 0.80 KIT (0.51) KITP2RY12ALDH1A1KDM4EMAPT
SCHEMBL5849216 0.80 P2RY12 (0.55) KITP2RY12ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 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 (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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 KIT 3199/4885GPR119 2426/4885P2RY12 111/4885

“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.