SCHEMBL5849523

SCHEMBL5849523

O=C(CC(F)(F)F)N1CCN(c2ncnc3sc(Br)cc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.74
MEN1 O00255 14/20 0.49
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 5/20 0.44

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
SCHEMBL5851617 0.86 P2RY12 (0.82) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5851381 0.85 P2RY12 (1.00) P2RY12MEN1ALDH1A1KDM4EKMT2A
SCHEMBL5849809 0.84 P2RY12 (0.73) P2RY12MEN1ALDH1A1KDM4EKMT2A
SCHEMBL7051669 0.84 P2RY12 (0.70) P2RY12MEN1ALDH1A1KDM4EKMT2A
SCHEMBL5849512 0.83 P2RY12 (0.85) P2RY12MEN1ALDH1A1KDM4EKMT2A
SCHEMBL5849588 0.83 P2RY12 (0.68) P2RY12MEN1ALDH1A1KDM4EKMT2A
SCHEMBL7062965 0.82 MEN1 (0.56) P2RY12MEN1ALDH1A1KDM4EKMT2A
SCHEMBL5849667 0.82 KDM4E (0.71) P2RY12MEN1ALDH1A1KDM4EKMT2A
SCHEMBL5849133 0.81 P2RY12 (0.74) P2RY12MEN1ALDH1A1KDM4EKMT2A
SCHEMBL5850896 0.81 P2RY12 (0.80) P2RY12MEN1ALDH1A1KDM4EKMT2A

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 P2RY12 111/4885MEN1 2603/4885ALDH1A1 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.