SCHEMBL5849526

SCHEMBL5849526

CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccc(N)cc5)cc4)CC3)ncnc2s1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 14/20 0.84
MEN1 O00255 4/20 0.78
ALDH1A1 P00352 1/20 0.65
KMT2A Q03164 1/20 0.65
HRH4 Q9H3N8 1/20 0.57
HTT P42858 2/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL5849743 0.97 MEN1 (0.83) P2RY12MEN1ALDH1A1KMT2AHRH4
SCHEMBL5849508 0.91 P2RY12 (1.00) P2RY12MEN1ALDH1A1KMT2AHTT
SCHEMBL5850818 0.91 P2RY12 (0.85) P2RY12MEN1ALDH1A1KMT2AHRH4
SCHEMBL5849279 0.91 P2RY12 (0.85) P2RY12MEN1ALDH1A1KMT2AHRH4
SCHEMBL5849236 0.90 P2RY12 (0.84) P2RY12MEN1ALDH1A1KMT2AHRH4
SCHEMBL5848930 0.90 P2RY12 (0.84) P2RY12MEN1ALDH1A1KMT2AHRH4
SCHEMBL5851471 0.89 P2RY12 (0.81) P2RY12MEN1ALDH1A1KMT2AHRH4
SCHEMBL5848838 0.89 P2RY12 (0.81) P2RY12MEN1ALDH1A1KMT2AHRH4
SCHEMBL5849052 0.88 MEN1 (0.84) P2RY12MEN1ALDH1A1KMT2AHRH4
SCHEMBL5848997 0.88 MEN1 (0.84) P2RY12MEN1ALDH1A1KMT2AHRH4

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 3 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
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO 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.