SCHEMBL5850940

SCHEMBL5850940

CCc1sc2ncnc(N3CCN(C(=O)CCCOn4nnc5ccccc54)CC3)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
P2RY12 Q9H244 2/20 0.41
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RECQL P46063 1/20 0.38
GFER P55789 1/20 0.38
RBP4 P02753 1/20 0.37

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
SCHEMBL5848928 0.85 P2RY12 (0.59) SMN1; SMN2TSHRMAPTP2RY12ALDH1A1
SCHEMBL5849680 0.83 P2RY12 (0.46) SMN1; SMN2TSHRMAPTP2RY12ALDH1A1
SCHEMBL5849213 0.82 P2RY12 (0.51) SMN1; SMN2TSHRMAPTP2RY12ALDH1A1
SCHEMBL5849656 0.82 KMT2A (0.44) SMN1; SMN2MAPTP2RY12ALDH1A1KMT2A
SCHEMBL5849260 0.82 P2RY12 (0.45) SMN1; SMN2TSHRMAPTRXFP1P2RY12
SCHEMBL5850723 0.81 P2RY12 (0.50) SMN1; SMN2TSHRMAPTP2RY12ALDH1A1
SCHEMBL5849494 0.81 P2RY12 (0.49) SMN1; SMN2TSHRMAPTP2RY12ALDH1A1
SCHEMBL5851309 0.81 P2RY12 (0.45) SMN1; SMN2TSHRMAPTP2RY12ALDH1A1
SCHEMBL5849059 0.80 P2RY12 (0.44) SMN1; SMN2MAPTP2RY12ALDH1A1KMT2A
SCHEMBL5851220 0.80 P2RY12 (0.44) SMN1; SMN2MAPTP2RY12ALDH1A1KMT2A

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 SMN1; SMN2 4536/4885TSHR 2238/4885MAPT 4002/4885

“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.