SCHEMBL13487441

SCHEMBL13487441

Cc1ccc2c(-c3ccccn3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.39
TGFBR1 P36897 2/20 0.34
PKM P14618 3/20 0.33
NPC1 O15118 3/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
CBFB Q13951 1/20 0.33
BTK Q06187 1/20 0.32
NPY5R Q15761 1/20 0.32
HTR2C P28335 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL13487475 0.95 PDK2 (0.39) PDK2TGFBR1PKMNPC1TP53
SCHEMBL13487859 0.94 PDK2 (0.42) PDK2TGFBR1PKMNPC1TP53
SCHEMBL13487442 0.91 PDK2 (0.36) PDK2KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL13487759 0.90 PDK2 (0.42) PDK2NPC1KDM4ENPY5RHTR2C
SCHEMBL13487448 0.89 ALOX5AP (0.34) PDK2KDM4EALDH1A1MEN1KMT2A
SCHEMBL13487846 0.89 PDK2 (0.42) PDK2TGFBR1PKMNPC1TP53
SCHEMBL13487507 0.89 PDK2 (0.39) PDK2PKMTP53KDM4ERAB9A
SCHEMBL13487447 0.88 PDK2 (0.33) PDK2KDM4EALDH1A1MEN1KMT2A
SCHEMBL13487807 0.87 PDK2 (0.36) PDK2KDM4ERAB9AALDH1A1MEN1
SCHEMBL13487445 0.86 MAPT (0.39) PDK2NPC1KDM4ERAB9AALDH1A1

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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 PDK2 1456/4885TGFBR1 3528/4885PKM 954/4885

“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.