SCHEMBL12919933

SCHEMBL12919933

C=C(C=N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ F12 P00748 1/20 0.40
▸ F7 P08709 1/20 0.40
▸ F3 P13726 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ BLM P54132 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ DAO P14920 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37

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
SCHEMBL108144 0.76 AKT1 (0.54) AKT1F2F10F12F7
SCHEMBL18519275 0.75 ALDH1A1 (0.43) PKMALDH1A1CES2CES1KMT2A
SCHEMBL13570230 0.74 ALDH1A1 (0.33) AKT1PKMALDH1A1TSHRKMT2A
SCHEMBL58595 0.74 ALDH1A1 (0.54) AKT1F2BLMALDH1A1CES2
SCHEMBL7854362 0.74 AKT1 (0.41) AKT1ALDH1A1CES2CES1TSHR
SCHEMBL10430318 0.74 AKT1 (0.41) AKT1F2F10F12F7
SCHEMBL24711143 0.73 PARP1 (0.47) ALDH1A1KMT2ATDP1MEN1MAPT
SCHEMBL20467598 0.73 CES2 (0.50) ALDH1A1CES2CES1KMT2AMEN1
SCHEMBL3848082 0.72 ALDH1A1 (0.42) AKT1ALDH1A1CES2CES1TSHR
Butadiene SCHEMBL3389124 0.72 AKT1 (0.50) AKT1F2F10F12F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 — — US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 — — US disclosed
US-20230276693-A1 LIGHT-EMITTING DEVICE, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND MIXTURE SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-31 — — US disclosed
US-20230200102-A1 MIXED LAYER, METHOD OF PREPARING THE MIXED LAYER, LIGHT-EMITTING DEVICE, AND ELECTRONIC APPARATUS SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-22 — — US disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
US-20230025356-A1 COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-26 — — US disclosed
WO-2020139962-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTIN AND GALECTIN-3 GLYCOMIMETICS, INC. (US) 2020-07-02 — — WO disclosed
US-20190233442-A1 SELECTIVE ESTROGEN RECEPTOR DOWN-REGULATORS (SERDS) XAVIER UNIVERSITY OF LOUISIANA 2019-08-01 — — US disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 — — US disclosed
CN-105164183-A Metal nanoparticle-protecting polymer and metal colloidal solution, and method for producing same DAINIPPON INK & CHEMICALS 2015-12-16 — — CN disclosed
WO-2011019156-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-02-17 — — 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 (5 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-20230025356-A1 COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE LAGE3, ITK, TEC AKT1 1422/4885F2 1142/4885F10 2265/4885
US-20190233442-A1 SELECTIVE ESTROGEN RECEPTOR DOWN-REGULATORS (SERDS) ESR1, ESR2, ESRRB AKT1 1514/4885F2 4841/4885F10 4748/4885
US-20230403927-A1 AROMATIC COMPOUNDS TYR, CTCF, MITF AKT1 4855/4885F2 556/4885F10 1142/4885
US-20170141329-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 AKT1 4815/4885F2 579/4885F10 1221/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 AKT1 4815/4885F2 579/4885F10 1221/4885

“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.

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