SCHEMBL1628150

SCHEMBL1628150

NC(=O)C(c1nc2cccnc2s1)c1ccccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
LIMK1 P53667 1/20 0.37
GCKR Q14397 1/20 0.36
POLB P06746 2/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDE10A Q9Y233 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
AKR1B1 P15121 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4364050 0.83 PDK1 (0.41) PDK1IKBKBCHUKLIMK1POLB
SCHEMBL4929686 0.69 PDK1 (0.45) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL29504546 0.68 PDK1 (0.58) PDK1IKBKBCHUKLIMK1POLB
SCHEMBL137507 0.68 PDK1 (0.58) PDK1IKBKBCHUKLIMK1POLB
SCHEMBL5797987 0.68 PDK1 (0.54) PDK1IKBKBCHUKLIMK1POLB
SCHEMBL31003221 0.68 PDK1 (0.50) PDK1GCKRPOLBNPC1RAB9A
SCHEMBL1628148 0.68 MAPT (0.42) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2624385 0.67 PDK1 (0.53) PDK1POLBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL31194795 0.66 PDK1 (0.56) PDK1IKBKBCHUKLIMK1POLB
SCHEMBL21753694 0.66 ALOX15 (0.41) IKBKBPOLBSMN1; SMN2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 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-20090054405-A1 PI3 kinase modulators and methods of use PIK3CA, PIK3C2A, PIK3C2B PDK1 89/4885IKBKB 529/4885CHUK 310/4885

“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.