SCHEMBL16577331

SCHEMBL16577331

CCOC(=O)c1cnc2c(Br)cc(C=N)cc2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 7/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
MAPK10 P53779 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SRC P12931 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
CYP1A2 P05177 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
SCHEMBL19782938 0.84 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPK1USP2
SCHEMBL13652346 0.83 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPK1USP2
SCHEMBL10193530 0.80 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPK1USP2
SCHEMBL866612 0.80 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPK1USP2
SCHEMBL29440746 0.78 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPK1USP2
SCHEMBL22734646 0.78 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPK1USP2
SCHEMBL6293263 0.77 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPK1USP2
SCHEMBL31373004 0.77 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPK1USP2
SCHEMBL18285386 0.75 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPK1USP2
SCHEMBL6083583 0.75 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPK1USP2

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-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF COLUMBIA UNIVERSITY (US) 2015-03-19 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-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A KMT2A 3277/4885MEN1 1930/4885ALDH1A1 2317/4885

“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.