SCHEMBL5849667

SCHEMBL5849667

O=C(CC(F)(F)F)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.71
ALDH1A1 P00352 9/20 0.71
P2RY12 Q9H244 5/20 0.67
MAPT P10636 4/20 0.63
POLB P06746 2/20 0.63
RXFP1 Q9HBX9 2/20 0.63
LMNA P02545 1/20 0.63
GAA P10253 3/20 0.62
MEN1 O00255 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
KMT2A Q03164 3/20 0.62
MAPK1 P28482 4/20 0.62
MCL1 Q07820 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
PKM P14618 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HPGD P15428 2/20 0.59
HSD17B10 Q99714 2/20 0.59
USP2 O75604 1/20 0.59

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
SCHEMBL7051943 0.87 KDM4E (0.72) KDM4EALDH1A1P2RY12MAPTPOLB
SCHEMBL5848988 0.86 ALDH1A1 (0.74) KDM4EALDH1A1P2RY12MAPTPOLB
SCHEMBL7062128 0.85 KDM4E (0.83) KDM4EALDH1A1P2RY12MAPTPOLB
SCHEMBL5849133 0.84 P2RY12 (0.74) KDM4EALDH1A1P2RY12MAPTMEN1
SCHEMBL5849523 0.82 P2RY12 (0.74) KDM4EALDH1A1P2RY12MEN1KMT2A
SCHEMBL5851617 0.81 P2RY12 (0.82) ALDH1A1P2RY12MEN1KMT2A
SCHEMBL7051947 0.81 KDM4E (0.76) KDM4EALDH1A1P2RY12MAPTPOLB
SCHEMBL5851381 0.81 P2RY12 (1.00) KDM4EALDH1A1P2RY12MAPTLMNA
SCHEMBL5851429 0.80 KDM4E (0.74) KDM4EALDH1A1P2RY12MAPTPOLB
SCHEMBL5849809 0.80 P2RY12 (0.73) KDM4EALDH1A1P2RY12MEN1KMT2A

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 KDM4E 2962/4885ALDH1A1 3346/4885P2RY12 111/4885

“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.