SCHEMBL5848798

SCHEMBL5848798

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.57
P2RY12 Q9H244 6/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAP4K4 O95819 1/20 0.47
MEN1 O00255 5/20 0.47
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
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
GBA1 P04062 1/20 0.42
PIK3CA P42336 1/20 0.41
HTT P42858 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
SCHEMBL5851682 0.88 KIT (0.55) KITP2RY12ALDH1A1KDM4EMAP4K4
SCHEMBL5850542 0.87 KIT (0.54) KITP2RY12ALDH1A1KDM4EMAP4K4
SCHEMBL5851315 0.87 KIT (0.54) KITP2RY12ALDH1A1KDM4EMAP4K4
SCHEMBL5849579 0.86 KIT (0.53) KITP2RY12ALDH1A1KDM4EMAP4K4
SCHEMBL5850552 0.85 P2RY12 (0.68) P2RY12ALDH1A1KDM4EMEN1MAPT
SCHEMBL5849530 0.84 KIT (0.52) KITP2RY12ALDH1A1KDM4EMAP4K4
SCHEMBL5849376 0.84 KIT (0.52) KITP2RY12ALDH1A1KDM4EMAP4K4
SCHEMBL5848640 0.83 KIT (0.51) KITP2RY12ALDH1A1KDM4EMAP4K4
SCHEMBL5851715 0.83 MAPT (0.57) KITP2RY12ALDH1A1KDM4EMEN1
SCHEMBL5849427 0.83 P2RY12 (0.57) KITP2RY12ALDH1A1KDM4EMEN1

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 3199/4885P2RY12 111/4885ALDH1A1 3346/4885

“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.