SCHEMBL21275554

SCHEMBL21275554

CC(C)C(C)c1nc2cccnc2s1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.50
POLB P06746 1/20 0.47
NPC1 O15118 8/20 0.43
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2A6 P11509 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL2624385 0.86 PDK1 (0.53) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL31003221 0.83 PDK1 (0.50) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL21008350 0.80 POLB (0.53) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL12241716 0.78 POLB (0.54) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL4929686 0.78 PDK1 (0.45) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL21275558 0.73 LOXL2 (0.62) PDK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29390917 0.72 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2176039 0.72 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL15221711 0.71 POLB (0.62) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL26485577 0.71 POLB (0.50) PDK1POLBNPC1RAB9ASMN1; SMN2

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-10385019-B2 Inhibitors of EGFR and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-20 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-10385019-B2 Inhibitors of EGFR and methods of use thereof EGFR, ERBB2, ERBB3 PDK1 1715/4885POLB 1318/4885NPC1 686/4885

“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.