SCHEMBL839641

SCHEMBL839641

N#Cc1cnn(-c2ncccc2Cl)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 1/20 0.48
XDH P47989 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CDK2 P24941 1/20 0.38
GLA P06280 1/20 0.38
HTR1A P08908 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
SCHEMBL839931 0.83 KMT2A (0.53) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL14477279 0.80 KMT2A (0.45) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL838839 0.79 KMT2A (0.55) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL10913942 0.78 KMT2A (0.46) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL824637 0.78 KMT2A (0.54) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL1457164 0.78 KMT2A (0.51) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL838856 0.75 KMT2A (0.51) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL838742 0.75 KMT2A (0.50) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL824888 0.75 PLAUR (0.52) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL840161 0.74 KMT2A (0.53) KMT2AKDM4EMEN1XDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809348-B2 6-arylmethyl substituted pyrazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 US disclosed
US-8809348-B2 6-arylmethyl substituted pyrazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 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-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 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
EP-1628980-B1 6-ARYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2010-04-28 EP 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
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
US-20100035900-A1 6-Arylmethyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 US disclosed
US-20100035900-A1 6-Arylmethyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 US disclosed
US-7615558-B2 6-arylmethylprazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines BAYER HEALTHCARE AG (DE) 2007-07-12 US disclosed
EP-1628980-A1 6-ARYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES Bayer HealthCare AG (DE) 2006-03-01 EP disclosed
WO-2004099210-A1 6-ARYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2004-11-18 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 (3 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-20100035900-A1 6-Arylmethyl-substituted pyrazolopyrimidines P2RX6, P2RY6, GRM6 KMT2A 1446/4885KDM4E 1212/4885MEN1 4417/4885
US-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 KMT2A 4136/4885KDM4E 3541/4885MEN1 2410/4885
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines P2RX6, P2RY6, GRM6 KMT2A 1446/4885KDM4E 1212/4885MEN1 4417/4885

“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.