SCHEMBL21453326

SCHEMBL21453326

CC(C)(C)Cc1ccc2c(c1)c1ncccc1n2-c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
METAP2 P50579 3/20 0.41
MAPK14 Q16539 1/20 0.36
MAT2A P31153 9/20 0.35
PDE10A Q9Y233 1/20 0.34
RORC P51449 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
PRMT5 O14744 2/20 0.32
SMO Q99835 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
SCHEMBL21453320 0.91 RORC (0.33) CYP1A2METAP2PDE10ARORCCYP3A4
SCHEMBL21453322 0.88 RORC (0.34) MAPK14PDE10ARORC
SCHEMBL21453318 0.84 CYP1A2 (0.41) CYP1A2METAP2MAPK14MAT2ACYP3A4
SCHEMBL21453324 0.84 RORC (0.36) CYP1A2MAT2ARORCCYP3A4
SCHEMBL21453321 0.81 FFAR4 (0.36) MAPK14MAT2APDE10ARORC
SCHEMBL21453328 0.81 PTGDR2 (0.39) MAPK14RORC
SCHEMBL1611068 0.80 CYP1A2 (0.46) CYP1A2METAP2MAPK14MAT2ACYP11B2
SCHEMBL21453323 0.79 PDE10A (0.35) CYP1A2METAP2MAT2APDE10ACYP11B2
SCHEMBL17264911 0.78 CYP1A2 (0.46) CYP1A2METAP2MAT2ACYP11B2CYP3A4
SCHEMBL21009613 0.78 CYP1A2 (0.46) CYP1A2METAP2MAPK14MAT2ACYP11B2

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 CYP1A2 802/4885METAP2 4394/4885MAPK14 2635/4885

“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.