SCHEMBL5849157

SCHEMBL5849157

CCCc1csc2ncnc(N3CCN(C(=O)CC(F)(F)F)CC3)c12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.60
KMT2A Q03164 5/20 0.46
MEN1 O00255 5/20 0.46
MAPK1 P28482 2/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
RBP4 P02753 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL7062034 0.85 KMT2A (0.53) P2RY12KMT2AMEN1MAPK1MAPT
SCHEMBL5851166 0.82 P2RY12 (0.61) P2RY12KMT2AMEN1MAPTALDH1A1
SCHEMBL5849182 0.82 KMT2A (0.53) P2RY12KMT2AMEN1MAPK1MAPT
SCHEMBL5849512 0.80 P2RY12 (0.85) P2RY12KMT2AMEN1ALDH1A1HTT
SCHEMBL5849400 0.76 P2RY12 (0.67) P2RY12KMT2AMEN1MAPK1MAPT
SCHEMBL5850896 0.75 P2RY12 (0.80) P2RY12KMT2AMEN1ALDH1A1HTT
SCHEMBL5851381 0.75 P2RY12 (1.00) P2RY12KMT2AMEN1MAPK1MAPT
SCHEMBL5849656 0.72 KMT2A (0.44) P2RY12KMT2AMEN1MAPK1MAPT
SCHEMBL5851617 0.72 P2RY12 (0.82) P2RY12KMT2AMEN1ALDH1A1
SCHEMBL5849659 0.72 KMT2A (0.41) P2RY12KMT2AMEN1MAPK1MAPT

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 111/4885KMT2A 1823/4885MEN1 2603/4885

“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.