SCHEMBL839931

SCHEMBL839931

Cc1cccnc1-n1ncc(C#N)c1N

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 1/20 0.48
XDH P47989 2/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.43
GLA P06280 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4D Q6B0I6 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CDK2 P24941 1/20 0.38
RECQL P46063 2/20 0.38
HSD17B10 Q99714 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
SCHEMBL839641 0.83 KMT2A (0.48) KMT2AALDH1A1NPSR1KDM4EMEN1
SCHEMBL838742 0.81 KMT2A (0.50) KMT2AALDH1A1NPSR1KDM4EMEN1
SCHEMBL840161 0.80 KMT2A (0.53) KMT2AALDH1A1NPSR1KDM4EMEN1
SCHEMBL14477279 0.80 KMT2A (0.45) KMT2AALDH1A1NPSR1KDM4EMEN1
SCHEMBL1457396 0.79 KMT2A (0.62) KMT2AALDH1A1NPSR1KDM4EMEN1
SCHEMBL824637 0.78 KMT2A (0.54) KMT2AALDH1A1NPSR1KDM4EMEN1
SCHEMBL1457376 0.78 KMT2A (0.57) KMT2AALDH1A1NPSR1KDM4EMEN1
SCHEMBL1456326 0.75 KMT2A (0.58) KMT2AALDH1A1NPSR1KDM4EMEN1
SCHEMBL824888 0.75 PLAUR (0.52) KMT2AALDH1A1NPSR1KDM4EMEN1
SCHEMBL8046923 0.73 KMT2A (0.56) KMT2AALDH1A1NPSR1KDM4EMEN1

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 11 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
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
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-7615558-B2 6-arylmethylprazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 KMT2A 4136/4885ALDH1A1 1918/4885NPSR1 2666/4885

“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.