SCHEMBL3333519

SCHEMBL3333519

CC(C)c1ccccc1-c1cccc(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
DHFR P00374 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GABRA1 P14867 3/20 0.40
GABRB2 P47870 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
CYP3A4 P08684 2/20 0.40
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
GABRB1 P18505 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL29414660 1.00 CA1 (0.42) CA1CA2CA12CA9DHFR
SCHEMBL15940150 0.98 CA1 (0.41) CA1CA2CA12CA9DHFR
SCHEMBL17454722 0.85 ALDH1A1 (0.59) CA1CA2CA12CA9DHFR
SCHEMBL8144744 0.85 GABRA1 (0.38) CA1CA2CA12CA9DHFR
SCHEMBL3334708 0.84 GABRA1 (0.40) CA1CA2CA12CA9ALDH1A1
SCHEMBL104522 0.81 CYP3A4 (0.48) CA1CA2ALDH1A1GABRA1GABRB2
SCHEMBL29407112 0.81 CYP3A4 (0.48) CA1CA2ALDH1A1GABRA1GABRB2
SCHEMBL167078 0.80 GABRA1 (0.55) CA1CA2CA12CA9DHFR
SCHEMBL29414063 0.80 GABRA1 (0.55) CA1CA2CA12CA9DHFR
SCHEMBL28448451 0.78 ALDH1A1 (0.58) ALDH1A1L3MBTL1CYP3A4HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747933-B Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2022-03-01 CN disclosed
CN-111747937-B 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2022-01-14 CN disclosed
CN-111747936-B Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2021-10-22 CN disclosed
CN-111747937-A 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2020-10-09 CN disclosed
CN-111747933-A Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2020-10-09 CN disclosed
CN-111747936-A Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2020-10-09 CN disclosed
WO-2020199996-A1 SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, COMPOSITION AND APPLICATION THEREOF 吉林省元合电子材料有限公司 2020-10-08 WO disclosed
WO-2020199998-A1 1,3,5-TRIAZINE COMPOUND AND COMPOSITION, AND APPLICATION THEREOF 吉林省元合电子材料有限公司 2020-10-08 WO disclosed
WO-2020199997-A1 SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, COMPOSITION AND APPLICATION THEREOF 吉林省元合电子材料有限公司 2020-10-08 WO disclosed
EP-2362889-B1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORP (US) 2018-12-26 EP disclosed
CN-102272261-B Phosphorescent emitters UNIVERSAL DISPLAY CORP 2014-02-26 CN disclosed
US-20130341599-A1 Phosphorescent Emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-12-26 US disclosed
CN-103396455-A Phosphorescent emitter UNIVERSAL DISPLAY CORP 2013-11-20 CN disclosed
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 US disclosed
CN-102272261-A Phosphorescent emitters 2011-12-07 CN disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 US disclosed
US-20090013901-A1 ACTIVE ENERGY BEAM-CURABLE INK TOHOKU RICOH CO., LTD. (JP) 2009-01-15 US disclosed
US-5252617-A Expandable polyurethane powder preparations containing blowing agents and their use for the production of foamed polyurethane moldings BAYER AKTIENGESELLSCHAFT (DE) 1993-10-12 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-20100141127-A1 PHOSPHORESCENT EMITTERS PAICS, TYMP, NUDT1 CA1 4488/4885CA2 2391/4885CA12 4295/4885

“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.