SCHEMBL16844656

SCHEMBL16844656

C(=N/Nc1nc(OCCOc2cccnc2)nc(N2CCOCC2)n1)\c1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.63
KMT2A Q03164 9/20 0.63
GAA P10253 8/20 0.63
MEN1 O00255 7/20 0.63
LMNA P02545 6/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
PIKFYVE Q9Y2I7 1/20 0.63
ALDH1A1 P00352 5/20 0.60
NPSR1 Q6W5P4 3/20 0.60
THRB P10828 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 2/20 0.55
RECQL P46063 2/20 0.42
HTT P42858 3/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 3/20 0.41
CA12 O43570 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
SCHEMBL427196 0.90 MAPT (0.62) MAPTKMT2AGAAMEN1LMNA
SCHEMBL10196380 0.90 MAPT (0.62) MAPTKMT2AGAAMEN1LMNA
SCHEMBL427195 0.90 MAPT (0.62) MAPTKMT2AGAAMEN1LMNA
SCHEMBL422581 0.86 MAPT (0.49) MAPTKMT2AGAAMEN1LMNA
SCHEMBL10195935 0.86 MAPT (0.49) MAPTKMT2AGAAMEN1LMNA
SCHEMBL422582 0.86 MAPT (0.49) MAPTKMT2AGAAMEN1LMNA
SCHEMBL426270 0.85 MAPT (0.68) MAPTKMT2AGAAMEN1LMNA
SCHEMBL426269 0.85 MAPT (0.68) MAPTKMT2AGAAMEN1LMNA
SCHEMBL10196633 0.85 MAPT (0.68) MAPTKMT2AGAAMEN1LMNA
SCHEMBL3325959 0.85 MAPT (0.62) MAPTKMT2AGAAMEN1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 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-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885KMT2A 1509/4885GAA 3596/4885

“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.