SCHEMBL20733779

SCHEMBL20733779

Cc1ccc(-c2ccc(C#N)cc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP11B2 P19099 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP2A6 P11509 2/20 0.43
TSHR P16473 1/20 0.41
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KIF11 P52732 1/20 0.40
TNKS O95271 1/20 0.40
MMP3 P08254 1/20 0.39
EGLN2 Q96KS0 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
AR P10275 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL21389009 0.98 CYP1A2 (0.46) CYP1A2CYP11B2ALDH1A1CYP2A6TSHR
SCHEMBL18322222 0.88 TSHR (0.52) CYP11B2ALDH1A1CYP2A6TSHRATM
SCHEMBL30451858 0.88 TSHR (0.52) CYP11B2ALDH1A1CYP2A6TSHRATM
SCHEMBL22049794 0.87 ALDH1A1 (0.61) CYP11B2ALDH1A1CYP2A6TSHRATM
SCHEMBL23625541 0.84 CYP11B1 (0.56) CYP1A2CYP11B2SLC22A12AR
SCHEMBL23625538 0.81 ADRA2C (0.48) CYP1A2ALDH1A1TSHRMEN1KMT2A
SCHEMBL23624495 0.79 MAOA (0.50) CYP1A2TSHRTNKSMMP3
SCHEMBL23624435 0.79 MAOB (0.50) CYP11B2ALDH1A1TSHRATMMEN1
SCHEMBL23625617 0.79 COMT (0.51) CYP11B2MEN1KMT2AEGLN2
SCHEMBL24617129 0.79 KIF11 (0.70) CYP11B2ALDH1A1CYP2A6TSHRKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337532-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, ELECTRON TRANSPORT MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, AND ORGANIC LIGHT EMITTING DIODE TOSOH CORPORATION (JP) 2023-10-19 US disclosed
US-20230337532-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, ELECTRON TRANSPORT MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, AND ORGANIC LIGHT EMITTING DIODE TOSOH CORPORATION (JP) 2023-10-19 US disclosed
WO-2022075219-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2022-04-14 WO disclosed
WO-2021135516-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
WO-2021135725-A1 ORGANIC COMPOUND, ELECTRONIC DEVICE AND ELECTRONIC APPARATUS USING SAME 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
WO-2019031605-A1 FUSED RING COMPOUND 東ソー株式会社 2019-02-14 WO 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-20230337532-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, ELECTRON TRANSPORT MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, AND ORGANIC LIGHT EMITTING DIODE ARNT, TPH1, AHR CYP1A2 15/4885CYP11B2 277/4885ALDH1A1 61/4885

“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.