SCHEMBL20061797

SCHEMBL20061797

c1ccc2c(c1)C1c3cccnc3C2c2cncnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.34
CYP11B2 P19099 1/20 0.33
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 4/20 0.31
CYP2D6 P10635 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1B P35368 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
CYP3A4 P08684 3/20 0.31

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
SCHEMBL20061811 0.95 CYP2A6 (0.33) CYP2A6CYP11B2EGFRMEN1NPC1
SCHEMBL20061806 0.89 KDM4E (0.37) CYP2A6CYP11B2EGFRNPC1RAB9A
SCHEMBL20061784 0.89 EGFR (0.38) CYP2A6EGFRMEN1KMT2AADRA1D
SCHEMBL20061787 0.84 KDM4E (0.36) CYP2A6CYP11B2EGFRNPC1RAB9A
SCHEMBL20061807 0.84 CYP2A6 (0.33) CYP2A6CYP11B2EGFRADRA1DADRA1A
SCHEMBL20061786 0.84 CYP2A6 (0.33) CYP2A6CYP11B2EGFRADRA1DADRA1A
SCHEMBL20061816 0.82 NOS3 (0.37) CYP2A6MEN1NPC1RAB9AKMT2A
SCHEMBL20061809 0.82 EGFR (0.30) EGFR
SCHEMBL20061823 0.82 KDM4E (0.33)
SCHEMBL20061789 0.79 KDM4E (0.40) CYP2A6CYP11B2EGFRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11239432-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-02-01 US disclosed
US-20180108848-A1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-04-19 US disclosed
US-20180108848-A1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-04-19 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-11239432-B2 Organic electroluminescent materials and devices OCIAD1, OSBP, OCIAD2 CYP2A6 2512/4885CYP11B2 406/4885EGFR 3000/4885
US-20180108848-A1 Organic electroluminescent materials and devices OSBP, OSBP2, OCIAD2 CYP2A6 3830/4885CYP11B2 739/4885EGFR 4403/4885

“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.