SCHEMBL5850944

SCHEMBL5850944

CCc1sc2ncnc(N3CCN(C(=O)CCCOc4cccc5[nH]nnc45)CC3)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.39
P2RY12 Q9H244 2/20 0.39
RECQL P46063 2/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.37
NR2F2 P24468 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
SCHEMBL5851379 0.85 P2RY12 (0.56) MAPTTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL5849692 0.84 P2RY12 (0.44) MAPTSMN1; SMN2KDM4EALDH1A1P2RY12
SCHEMBL5849659 0.83 KMT2A (0.41) MAPTALDH1A1P2RY12MEN1KMT2A
SCHEMBL5849217 0.83 P2RY12 (0.49) MAPTTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL5850727 0.81 P2RY12 (0.48) MAPTTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL5849063 0.81 P2RY12 (0.42) MAPTTSHRSMN1; SMN2RXFP1KDM4E
SCHEMBL5849772 0.81 CNR2 (0.38) MAPTTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL5850759 0.80 P2RY12 (0.42) MAPTSMN1; SMN2KDM4EALDH1A1P2RY12
SCHEMBL5851425 0.80 KMT2A (0.37) MAPTTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL5848852 0.80 HTR6 (0.47) ALDH1A1P2RY12MEN1KMT2A

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

“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.