SCHEMBL839600

SCHEMBL839600

N#Cc1cnn(-c2c(Cl)cccc2Br)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.47
XDH P47989 2/20 0.43
ABL1 P00519 1/20 0.40
KDR P35968 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
RXFP1 Q9HBX9 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
MAPK14 Q16539 2/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL838839 0.90 KMT2A (0.55) KMT2AKDM4EMEN1XDHABL1
SCHEMBL840405 0.90 KMT2A (0.55) KMT2AKDM4EMEN1XDHABL1
SCHEMBL13153173 0.83 KMT2A (0.49) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL8046923 0.83 KMT2A (0.56) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL839916 0.83 KMT2A (0.54) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL11276408 0.81 KMT2A (0.43) KMT2AKDM4EMEN1XDHABL1
SCHEMBL11283693 0.81 KMT2A (0.43) KMT2AKDM4EMEN1XDHABL1
SCHEMBL11268556 0.78 KMT2A (0.47) KMT2AKDM4EMEN1XDHABL1
SCHEMBL11283714 0.78 KMT2A (0.47) KMT2AKDM4EMEN1XDHABL1
SCHEMBL838856 0.77 KMT2A (0.51) KMT2AKDM4EMEN1XDHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8071608-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071608-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071608-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 US disclosed
CN-102171213-A Pyrazolo [3, 4] pyrimidin-4-yl derivatives and their uses to treat diabetes and obesity ASTRAZENECA AB 2011-08-31 CN disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
WO-2010116176-A1 PYRAZOLO [4, 5-E] PYRIMIDINE DERIVATIVE AND ITS USE TO TREAT DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261733-A1 THERAPEUTIC AGENTS 927 ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100261733-A1 THERAPEUTIC AGENTS 927 ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100261733-A1 THERAPEUTIC AGENTS 927 ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO 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 (2 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 KMT2A 4136/4885KDM4E 3541/4885MEN1 2410/4885
US-20100261733-A1 THERAPEUTIC AGENTS 927 GCK, GCKR, GALK1 KMT2A 3031/4885KDM4E 1815/4885MEN1 2935/4885

“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.