SCHEMBL850065

SCHEMBL850065

O=C(CNc1ncnc2c1cnn2-c1ccccc1Cl)Nc1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.49
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 6/20 0.48
HPGD P15428 6/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 4/20 0.48
MAPK1 P28482 3/20 0.48
KCNH2 Q12809 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HSD17B10 Q99714 3/20 0.47
S1PR2 O95136 1/20 0.46
PDE9A O76083 1/20 0.45
TSHR P16473 3/20 0.45
MAPK10 P53779 1/20 0.45
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
CASP3 P42574 1/20 0.43

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 0.85 KDM4E (0.53) GCKALDH1A1KDM4EHPGDRAB9A
SCHEMBL839811 0.82 GCK (0.50) GCKALDH1A1KDM4EHPGDRAB9A
SCHEMBL839249 0.72 GCK (0.86) GCKKCNH2
SCHEMBL6263817 0.72 GCK (0.46) GCKALDH1A1KDM4EHPGDRAB9A
SCHEMBL839270 0.71 GCK (0.46) GCKALDH1A1KDM4ERAB9ANPC1
SCHEMBL878705 0.70 GCK (0.47) GCKALDH1A1KDM4ERAB9AMAPT
SCHEMBL839210 0.70 GCK (0.47) GCKALDH1A1KDM4ERAB9ANPC1
SCHEMBL6264370 0.69 MAPT (0.53) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL6266860 0.67 MAPT (0.74) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL2257470 0.67 MAPT (0.49) ALDH1A1KDM4EHPGDRAB9ANPC1

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 5 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-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 1/4885ALDH1A1 1918/4885KDM4E 3541/4885

“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.