SCHEMBL76737

SCHEMBL76737

N#CCc1nccc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 5/20 0.37
ADRB1 P08588 1/20 0.37
PKM P14618 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.36
LOX P28300 1/20 0.35
SCN9A Q15858 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA3 P34903 2/20 0.33
TGFBR1 P36897 1/20 0.33
TAS2R14 Q9NYV8 2/20 0.33
OGA O60502 1/20 0.33
IDH1 O75874 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
SCHEMBL16116378 0.79 MBOAT4 (0.37) MBOAT4SYKADRB1PKMLOXL2
SCHEMBL24133933 0.77 HSP90AA1 (0.34) MEN1MAPTKMT2A
SCHEMBL3364013 0.76 MBOAT4 (0.41) MBOAT4SYKADRB1PKMLOXL2
SCHEMBL18115234 0.76 SORD (0.46) MBOAT4SYKADRB1PKMLOXL2
SCHEMBL28910755 0.76 MBOAT4 (0.41) MBOAT4SYKADRB1PKMLOXL2
SCHEMBL2632840 0.76 MBOAT4 (0.44) MBOAT4SYKADRB1PKMLOXL2
SCHEMBL1509561 0.76 LOXL2 (0.52) MBOAT4SYKADRB1PKMLOXL2
SCHEMBL3680239 0.73 MEN1 (0.47) MEN1MAPTKMT2A
SCHEMBL18647595 0.73 MBOAT4 (0.42) MBOAT4SYKADRB1PKMLOXL2
SCHEMBL15120064 0.73 MBOAT4 (0.42) MBOAT4SYKADRB1PKMLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230240139-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, a Composition Comprising a Compound of Formula (IV) and at Least One Compound of Formula (IVa) to (IVd), an Organic Semiconductor Layer Comprising the Compound or Composition, an Organic Electronic Device Comprising the Organic Semiconductor Layer, and a Display Device Comprising the Organic Electronic Device NOVALED GMBH (DE) 2023-07-27 US disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
US-20230225141-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, an Organic Electronic Device Comprising a Compound of Formula (I) and a Display Device Comprising the Organic Electronic Device NOVALED GMBH (DE) 2023-07-13 US disclosed
EP-3989302-A1 ORGANIC COMPOUND OF FORMULA (I) FOR USE IN ORGANIC ELECTRONIC DEVICES, AN ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE Novaled GmbH (DE) 2022-04-27 EP disclosed
EP-3989304-A1 ORGANIC COMPOUND OF FORMULA (I) FOR USE IN ORGANIC ELECTRONIC DEVICES, AN ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE Novaled GmbH (DE) 2022-04-27 EP disclosed
WO-2021259792-A1 ORGANIC COMPOUND OF FORMULA (I) FOR USE IN ORGANIC ELECTRONIC DEVICES, A COMPOSITION COMPRISING A COMPOUND OF FORMULA (IV) AND AT LEAST ONE COMPOUND OF FORMULA (IVa) TO (IVd), AN ORGANIC SEMICONDUCTOR LAYER COMPRISING THE COMPOUND OR COMPOSITION, AN ORGANIC ELECTRONIC DEVICE COMPRISING THE ORGANIC SEMICONDUCTOR LAYER, AND A DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2021-12-30 WO disclosed
WO-2021259786-A1 ORGANIC COMPOUND OF FORMULA (I) FOR USE IN ORGANIC ELECTRONIC DEVICES, AN ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2021-12-30 WO disclosed
WO-2021259787-A1 ORGANIC COMPOUND OF FORMULA (I) FOR USE IN ORGANIC ELECTRONIC DEVICES, AN ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2021-12-30 WO disclosed
US-20140287916-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-25 US disclosed
US-20140287916-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-25 US disclosed
US-20140287916-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-25 US disclosed
EP-2773622-A1 PESTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2014-09-10 EP disclosed
WO-2013064518-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-05-10 WO disclosed
WO-2013064518-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-05-10 WO disclosed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
CN-102159568-A 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK INC 2011-08-17 CN disclosed
EP-2346856-A1 2-[1H-BENZIMIDAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AND 2-[BENZOTHIAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AS KINASE INHIBITORS Telik, Inc. (US) 2011-07-27 EP disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
WO-2010036873-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2010-04-01 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 (3 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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 MBOAT4 4656/4885MEN1 3485/4885MAPT 3439/4885
US-20230240139-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, a Composition Comprising a Compound of Formula (IV) and at Least One Compound of Formula (IVa) to (IVd), an Organic Semiconductor Layer Comprising the Compound or Composition, an Organic Electronic Device Comprising the Organic Semiconductor Layer, and a Display Device Comprising the Organic Electronic Device CFD, OCIAD2, OCIAD1 MBOAT4 2910/4885MEN1 1737/4885MAPT 1336/4885
US-20140287916-A1 PESTICIDAL COMPOUNDS DDT, C5, ACHE MBOAT4 3109/4885MEN1 281/4885MAPT 4765/4885

“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.