SCHEMBL839258

SCHEMBL839258

CC(C)n1ncc2c(Cl)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABL1 P00519 4/20 0.37
SRC P12931 4/20 0.37
KDR P35968 4/20 0.37
PI4KB Q9UBF8 3/20 0.37
PIK3CD O00329 3/20 0.37
EGFR P00533 3/20 0.37
HCK P08631 3/20 0.37
PIK3CA P42336 3/20 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
SCHEMBL26941372 0.83 NPC1 (0.35) KDM4EKMT2ANPC1RAB9ATDP1
SCHEMBL850318 0.80 GSK3B (0.39) GSK3BKDM4EKMT2ANPC1RAB9A
SCHEMBL24393328 0.80 GSK3B (0.39) GSK3BKDM4EKMT2ANPC1RAB9A
SCHEMBL15079234 0.79 KDM4E (0.40) GSK3BKDM4EKMT2ANPC1RAB9A
SCHEMBL25590056 0.79 GSK3B (0.38) GSK3BKDM4EKMT2ANPC1RAB9A
SCHEMBL12206789 0.79 PI4KB (0.61) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL24175519 0.76 GSK3B (0.37) GSK3BKDM4EKMT2ANPC1RAB9A
SCHEMBL24393418 0.76 TP53 (0.49) GSK3BKDM4EKMT2ANPC1RAB9A
SCHEMBL13510 0.76 PI4KA (0.61) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL2357706 0.75 KDM4E (0.43) KDM4EKMT2APDE1CPDE9A

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
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
US-4124764-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1978-11-07 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 GSK3B 1784/4885KDM4E 3541/4885KMT2A 4136/4885

“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.