SCHEMBL5849656

SCHEMBL5849656

CCCc1csc2ncnc(N3CCN(C(=O)CCCOn4nnc5ccccc54)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 6/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GFER P55789 1/20 0.37
P2RY12 Q9H244 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
NLRP1 Q9C000 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL5849213 0.85 P2RY12 (0.51) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL5850940 0.82 SMN1; SMN2 (0.43) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL5850723 0.82 P2RY12 (0.50) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL5848928 0.81 P2RY12 (0.59) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL5849680 0.80 P2RY12 (0.46) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL5849494 0.79 P2RY12 (0.49) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL7052962 0.79 KMT2A (0.40) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL5851309 0.79 P2RY12 (0.45) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL5849260 0.78 P2RY12 (0.45) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL5849659 0.78 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTLMNA

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 KMT2A 1823/4885MEN1 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.