SCHEMBL21453318

SCHEMBL21453318

CC(C)(C)Cc1ccc2c(c1)c1cnccc1n2-c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
METAP2 P50579 3/20 0.41
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAT2A P31153 6/20 0.34
PRMT5 O14744 2/20 0.34
ALOX12 P18054 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMO Q99835 1/20 0.34
MAPK14 Q16539 1/20 0.33
SRC P12931 1/20 0.33
REN P00797 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL21453326 0.84 CYP1A2 (0.41) CYP1A2METAP2MAT2APRMT5CYP3A4
SCHEMBL9968170 0.83 MAOA (0.34) MAOAMAOBREN
SCHEMBL9968103 0.81 MAOA (0.43) MAOAMAOBCYP3A4
SCHEMBL26998656 0.78 KDM4E (0.46) CYP1A2CYP3A4
SCHEMBL18783606 0.76 CYP1A2 (0.48) CYP1A2METAP2MAT2APRMT5ALOX12
SCHEMBL21453320 0.75 RORC (0.33) CYP1A2METAP2CYP3A4
SCHEMBL22177168 0.74 KDM4E (0.55) CYP1A2CYP3A4CNR2
SCHEMBL21453319 0.74 CYP1A2 (0.43) CYP1A2METAP2MAT2APRMT5ALOX12
SCHEMBL21453322 0.74 RORC (0.34) MAPK14REN
SCHEMBL19170127 0.73 CDK4 (0.41) CYP1A2METAP2REN

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 4394/4885MAOA 957/4885

“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.