SCHEMBL20737286

SCHEMBL20737286

c1ccc(-c2cncc(-c3cc4c(c5ccccc35)-c3cc5ccccc5cc3C43c4ccccc4-c4ccccc43)c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
GRM5 P41594 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP11B1 P15538 1/20 0.34
CCR1 P32246 2/20 0.32
CCR5 P51681 2/20 0.32
CCR8 P51685 2/20 0.32
KDM4E B2RXH2 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 2/20 0.31
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 2/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL27250686 0.89 PDK2 (0.44) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL20737273 0.86 PDK2 (0.42) PDK2CYP11B1CCR1CCR5CCR8
SCHEMBL20737166 0.85 PDK2 (0.38) PDK2GRM5CYP2A6CYP11B1KDM4E
SCHEMBL20737283 0.85 PDK2 (0.39) PDK2GRM5CCR1CCR5CCR8
SCHEMBL27250710 0.85 PDK2 (0.38) PDK2GRM5CCR1CCR5CCR8
SCHEMBL20737219 0.84 PDK2 (0.40) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL20737209 0.83 KDM4E (0.43) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL20737287 0.81 KDM4E (0.41) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL27250687 0.78 PDK2 (0.42) PDK2CYP11B1KDM4ESMN1; SMN2NPC1
SCHEMBL27250711 0.78 BRD4 (0.35) PDK2CYP11B1CCR1CCR5CCR8

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-11552251-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-01-10 US disclosed
US-20190051835-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-02-14 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 (2 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-11552251-B2 Organic electroluminescent element and electronic device L1CAM, ESR1, LEF1 PDK2 2420/4885GRM5 3732/4885CYP2A6 2221/4885
US-20190051835-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE L1CAM, ESR1, LEF1 PDK2 2420/4885GRM5 3732/4885CYP2A6 2221/4885

“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.