SCHEMBL4364050

SCHEMBL4364050

NC(=O)C(c1ccccc1)c1nc2cccnc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 5/20 0.40
TP53 P04637 3/20 0.40
CSNK1D P48730 1/20 0.39
HPGD P15428 2/20 0.38
AKR1B1 P15121 1/20 0.37
POLB P06746 2/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
LIMK1 P53667 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
THRB P10828 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
ALOX5 P09917 1/20 0.36
HTT P42858 2/20 0.35

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
SCHEMBL1628150 0.83 PDK1 (0.38) PDK1ALDH1A1KDM4ELMNATP53
SCHEMBL11585822 0.80 HPGD (0.60) ALDH1A1CSNK1DHPGDSMN1; SMN2NPC1
SCHEMBL11132898 0.78 POLB (0.40) PDK1ALDH1A1KDM4ELMNATP53
SCHEMBL4929686 0.74 PDK1 (0.45) PDK1ALDH1A1KDM4ELMNATP53
SCHEMBL1628148 0.73 MAPT (0.42) PDK1ALDH1A1KDM4ELMNATP53
SCHEMBL5797987 0.70 PDK1 (0.54) PDK1ALDH1A1KDM4ELMNATP53
SCHEMBL31003221 0.70 PDK1 (0.50) PDK1ALDH1A1KDM4ELMNATP53
SCHEMBL2624385 0.70 PDK1 (0.53) PDK1ALDH1A1KDM4ELMNATP53
SCHEMBL11100414 0.69 PPARA (0.56) PDK1ALDH1A1LMNATP53AKR1B1
SCHEMBL639563 0.68 ALDH1A1 (0.64) ALDH1A1KDM4ELMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 89/4885ALDH1A1 2294/4885KDM4E 2222/4885

“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.