SCHEMBL839811

SCHEMBL839811

COC(=O)CNc1ncnc2c1cnn2-c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.50
KDM4E B2RXH2 5/20 0.50
RAB9A P51151 4/20 0.50
MAPK1 P28482 4/20 0.50
NPC1 O15118 3/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KCNH2 Q12809 3/20 0.49
S1PR2 O95136 1/20 0.49
MAPT P10636 6/20 0.48
TP53 P04637 4/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPK10 P53779 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL839357 0.88 KDM4E (0.53) GCKKDM4ERAB9AMAPK1NPC1
SCHEMBL850065 0.82 GCK (0.49) GCKKDM4ERAB9AMAPK1NPC1
SCHEMBL6266860 0.74 MAPT (0.74) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL6268329 0.73 MAPT (0.64) KDM4ERAB9AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL878705 0.72 GCK (0.47) GCKKDM4ERAB9AMAPK1ALDH1A1
SCHEMBL839210 0.72 GCK (0.47) GCKKDM4ERAB9AMAPK1NPC1
SCHEMBL840128 0.71 GCK (0.76) GCKKCNH2
SCHEMBL838680 0.71 GCK (0.76) GCKKCNH2
SCHEMBL838679 0.71 GCK (0.76) GCKKCNH2
SCHEMBL839270 0.71 GCK (0.46) GCKKDM4ERAB9AMAPK1NPC1

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 8 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
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 (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 GCK 1/4885KDM4E 3541/4885RAB9A 3239/4885

“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.